
 CHEMBL75380

 31 32  0  0  0  0  0  0  0  0999 V2000
    2.6477   -1.1647    0.3606 C   0  0  0  0  0
    2.1524    0.2646    0.2010 C   0  0  0  0  0
    3.2551    1.2164    0.1801 N   0  0  0  0  0
    3.9387    1.5218   -0.9587 C   0  0  0  0  0
    3.7174    1.0743   -2.0741 O   0  0  0  0  0
    5.0330    2.5080   -0.5937 C   0  0  0  0  0
    4.7957    3.8793   -1.2192 C   0  0  0  0  0
    5.2518    3.9260   -2.6762 C   0  0  0  0  0
    6.6218    3.4467   -2.8804 N   0  0  0  0  0
    6.8038    2.0917   -2.3518 C   0  0  0  0  0
    6.4242    1.9511   -0.8789 C   0  0  0  0  0
    7.6286    4.3847   -2.3897 C   0  0  0  0  0
    4.8656    2.6194    0.8368 O   0  0  0  0  0
    3.8215    1.8466    1.2287 C   0  0  0  0  0
    3.4516    1.8166    2.8402 S   0  0  0  0  0
    1.8036   -1.8610    0.3684 H   0  0  0  0  0
    3.2035   -1.2896    1.2954 H   0  0  0  0  0
    3.3141   -1.4443   -0.4621 H   0  0  0  0  0
    1.4680    0.5136    1.0181 H   0  0  0  0  0
    1.5980    0.3520   -0.7403 H   0  0  0  0  0
    3.7331    4.1488   -1.1624 H   0  0  0  0  0
    5.3218    4.6463   -0.6359 H   0  0  0  0  0
    4.5750    3.3199   -3.2912 H   0  0  0  0  0
    5.1486    4.9483   -3.0607 H   0  0  0  0  0
    7.8417    1.7666   -2.4958 H   0  0  0  0  0
    6.2024    1.3992   -2.9536 H   0  0  0  0  0
    6.4807    0.8941   -0.5884 H   0  0  0  0  0
    7.1625    2.4654   -0.2503 H   0  0  0  0  0
    7.5115    5.3593   -2.8765 H   0  0  0  0  0
    8.6345    4.0313   -2.6422 H   0  0  0  0  0
    7.5848    4.5385   -1.3070 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 11  1  0  0  0
  6 13  1  0  0  0
  7  8  1  0  0  0
  7 21  1  0  0  0
  7 22  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL75380

>  <PubChem CID>
14956867

>  <Formula>
C10H16N2O2S

>  <Molecular Weight>
228.310000

>  <IUPAC Name>
3-ethyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one

>  <XlogP>
1.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCN1C(=O)C2(CCN(CC2)C)OC1=S

>  <Isomeric SMILES>
CCN1C(=O)C2(CCN(CC2)C)OC1=S

>  <InChI Std. ID>
InChI=1S/C10H16N2O2S/c1-3-12-8(13)10(14-9(12)15)4-6-11(2)7-5-10/h3-7H2,1-2H3

>  <InChI Key>
FGMFPQUYYBEYEK-UHFFFAOYSA-N

