
 CHEMBL553123

 27 27  0  0  0  0  0  0  0  0999 V2000
    1.0937   -0.3973   -0.0567 C   0  0  0  0  0
    2.5531   -0.4883    0.1280 N   0  0  0  0  0
    2.9789   -0.2399    1.5232 C   0  0  0  0  0
    2.6168   -1.4077    2.4588 C   0  0  0  0  0
    3.2194   -2.7184    1.9261 C   0  0  0  0  0
    2.7678   -2.9616    0.4763 C   0  0  0  0  0
    3.1246   -1.7467   -0.4006 C   0  0  0  0  0
    2.8844   -3.8949    2.8235 C   0  0  0  0  0
    1.7607   -4.3096    3.0645 O   0  0  0  0  0
    3.9895   -4.4373    3.3318 N   0  0  0  0  0
    5.0459   -3.6889    2.8243 C   0  0  0  0  0
    6.4272   -3.9394    3.1231 S   0  0  0  0  0
    4.6186   -2.6969    2.0149 O   0  0  0  0  0
    1.7552    3.4279    0.4676 Cl  0  0  0  0  0
    0.8426   -0.4855   -1.1349 H   0  0  0  0  0
    0.7251    0.5905    0.2893 H   0  0  0  0  0
    0.5453   -1.1840    0.4982 H   0  0  0  0  0
    2.5283    0.7022    1.9040 H   0  0  0  0  0
    4.0818   -0.0949    1.5381 H   0  0  0  0  0
    2.9942   -1.1974    3.4835 H   0  0  0  0  0
    1.5125   -1.5024    2.5221 H   0  0  0  0  0
    3.2544   -3.8743    0.0680 H   0  0  0  0  0
    1.6709   -3.1294    0.4503 H   0  0  0  0  0
    4.2316   -1.6451   -0.4413 H   0  0  0  0  0
    2.7813   -1.9196   -1.4438 H   0  0  0  0  0
    4.0383   -5.2462    3.9698 H   0  0  0  0  0
    2.2196    2.5234   -0.4593 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5 13  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 14 27  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL553123

>  <PubChem CID>
45260773

>  <Formula>
C8H13ClN2O2S

>  <Molecular Weight>
236.714000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1CCC2(CC1)C(=O)NC(=S)O2.Cl

>  <Isomeric SMILES>
CN1CCC2(CC1)C(=O)NC(=S)O2.Cl

>  <InChI Std. ID>
InChI=1S/C8H12N2O2S.ClH/c1-10-4-2-8(3-5-10)6(11)9-7(13)12-8;/h2-5H2,1H3,(H,9,11,13);1H

>  <InChI Key>
WAHUKPUVNBKPSX-UHFFFAOYSA-N

