
 CHEMBL2021360

 26 27  0  0  0  0  0  0  0  0999 V2000
    1.0404    0.0374    0.1785 C   0  0  0  0  0
    2.5546   -0.0659    0.0523 C   0  0  0  0  0
    2.8404   -0.9017   -1.0725 O   0  0  0  0  0
    3.3354   -0.1437   -2.1996 C   0  0  0  0  0
    2.5935   -0.6523   -3.4421 C   0  0  0  0  0
    3.6853   -1.0568   -4.4178 C   0  0  0  0  0
    4.8378   -1.4513   -3.6017 N   0  0  0  0  0
    4.8155   -0.5132   -2.4597 C   0  0  0  0  0
    4.7243   -2.8383   -3.1468 C   0  0  0  0  0
    3.1416    1.3628   -1.9824 C   0  0  0  0  0
    3.2916    1.5548   -0.2077 S   0  0  0  0  0
    0.7391    0.6732    1.0190 H   0  0  0  0  0
    0.6126   -0.9604    0.3364 H   0  0  0  0  0
    0.5779    0.4187   -0.7392 H   0  0  0  0  0
    2.9725   -0.5300    0.9501 H   0  0  0  0  0
    1.9380    0.1032   -3.8903 H   0  0  0  0  0
    1.9675   -1.5185   -3.1966 H   0  0  0  0  0
    3.3543   -1.8379   -5.1117 H   0  0  0  0  0
    3.9682   -0.1896   -5.0296 H   0  0  0  0  0
    5.3145   -0.9254   -1.5746 H   0  0  0  0  0
    5.3894    0.3697   -2.7686 H   0  0  0  0  0
    5.6059   -3.1128   -2.5563 H   0  0  0  0  0
    4.7009   -3.5177   -4.0061 H   0  0  0  0  0
    3.8330   -3.0275   -2.5382 H   0  0  0  0  0
    3.8583    1.9834   -2.5259 H   0  0  0  0  0
    2.1337    1.6858   -2.2637 H   0  0  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2 11  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  3  4  1  0  0  0
  4 10  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 16  1  0  0  0
  5 17  1  0  0  0
  6  7  1  0  0  0
  6 18  1  0  0  0
  6 19  1  0  0  0
  7  8  1  0  0  0
  7  9  1  0  0  0
  8 20  1  0  0  0
  8 21  1  0  0  0
  9 22  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2021360

>  <PubChem CID>
70683395

>  <Formula>
C8H15NOS

>  <Molecular Weight>
173.274000

>  <IUPAC Name>
(2S)-2,7-dimethyl-1-oxa-3-thia-7-azaspiro[4.4]nonane

>  <XlogP>
1.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1OC2(CCN(C2)C)CS1

>  <Isomeric SMILES>
C[C@H]1OC2(CCN(C2)C)CS1

>  <InChI Std. ID>
InChI=1S/C8H15NOS/c1-7-10-8(6-11-7)3-4-9(2)5-8/h7H,3-6H2,1-2H3/t7-,8?/m0/s1

>  <InChI Key>
AOXLYSWVDBPYOY-JAMMHHFISA-N

