Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1S0RV2EY2V
EPA CompTox DTXSID6058053

Structure

InChI Key LMHHRCOWPQNFTF-UHFFFAOYSA-N
Smiles CC(C)SC(=O)N1CCCCCC1
InChI
InChI=1S/C10H19NOS/c1-9(2)13-10(12)11-7-5-3-4-6-8-11/h9H,3-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H19N1O1S1
Molecular Weight 201.12
AlogP 3.12
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 20.31
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 3134-70-1
NORMAN SUSDAT
FDA SRS 1S0RV2EY2V
PubChem 76585
ChemSpider 69050.0