
 CHEMBL3588910

 45 47  0  0  0  0  0  0  0  0999 V2000
    6.2161    3.5812   -4.2009 C   0  0  0  0  0
    6.7255    2.5299   -5.1822 C   0  0  0  0  0
    6.7855    1.2107   -4.4080 C   0  0  0  0  0
    6.4479    1.5649   -2.9574 C   0  0  0  0  0
    5.5337    2.7810   -3.1042 C   0  0  0  0  0
    5.7859    0.4347   -2.1643 C   0  0  0  0  0
    6.6660   -0.8038   -1.9695 C   0  0  0  0  0
    7.8041   -0.6065   -0.9733 C   0  0  0  0  0
    7.9895    0.4844   -0.4381 O   0  0  0  0  0
    8.5898   -1.7207   -0.6972 N   0  0  0  0  0
    8.4938   -2.9815   -1.4286 C   0  0  0  0  0
    8.9787   -4.1010   -0.5347 C   0  0  0  0  0
   10.4179   -3.3887    0.2678 S   0  0  0  0  0
    9.7626   -1.6328    0.2093 C   0  0  0  0  0
   10.8739   -0.7278   -0.3519 C   0  0  0  0  0
   12.0286   -0.5382    0.6323 C   0  0  0  0  0
   11.5558   -0.0628    1.9313 N   0  0  0  0  0
   10.6054   -0.9957    2.5353 C   0  0  0  0  0
    9.3834   -1.2159    1.6436 C   0  0  0  0  0
    7.0629    4.1394   -3.7838 H   0  0  0  0  0
    5.5415    4.3002   -4.6742 H   0  0  0  0  0
    7.7055    2.8094   -5.5826 H   0  0  0  0  0
    6.0401    2.4323   -6.0319 H   0  0  0  0  0
    6.0555    0.5075   -4.8262 H   0  0  0  0  0
    7.7733    0.7450   -4.4881 H   0  0  0  0  0
    7.3681    1.8863   -2.4535 H   0  0  0  0  0
    4.5271    2.4834   -3.4225 H   0  0  0  0  0
    5.4455    3.3501   -2.1739 H   0  0  0  0  0
    4.8694    0.1234   -2.6821 H   0  0  0  0  0
    5.4714    0.8179   -1.1852 H   0  0  0  0  0
    7.0778   -1.1347   -2.9285 H   0  0  0  0  0
    6.0202   -1.5975   -1.5746 H   0  0  0  0  0
    7.4751   -3.1860   -1.7655 H   0  0  0  0  0
    9.1216   -2.8860   -2.3240 H   0  0  0  0  0
    8.2330   -4.3491    0.2268 H   0  0  0  0  0
    9.2286   -5.0035   -1.0975 H   0  0  0  0  0
   11.2566   -1.1176   -1.3040 H   0  0  0  0  0
   10.4687    0.2641   -0.5867 H   0  0  0  0  0
   12.6051   -1.4626    0.7541 H   0  0  0  0  0
   12.7226    0.2038    0.2213 H   0  0  0  0  0
   12.3522    0.0606    2.5569 H   0  0  0  0  0
   10.2705   -0.5770    3.4912 H   0  0  0  0  0
   11.1017   -1.9438    2.7719 H   0  0  0  0  0
    8.7100   -1.9506    2.1034 H   0  0  0  0  0
    8.8195   -0.2765    1.6331 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  4 26  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
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 15 16  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3588910

>  <PubChem CID>
4306793

>  <Formula>
C15H26N2OS

>  <Molecular Weight>
282.446000

>  <IUPAC Name>
3-cyclopentyl-1-(1-thia-4,8-diazaspiro[4.5]decan-4-yl)propan-1-one

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCC(C1)CCC(=O)N2CCSC23CCNCC3

>  <Isomeric SMILES>
C1CCC(C1)CCC(=O)N2CCSC23CCNCC3

>  <InChI Std. ID>
InChI=1S/C15H26N2OS/c18-14(6-5-13-3-1-2-4-13)17-11-12-19-15(17)7-9-16-10-8-15/h13,16H,1-12H2

>  <InChI Key>
AVEVOUGZRSAUPZ-UHFFFAOYSA-N

