N-methyl-3-(thian-3-ylamino)benzenesulfonamide

C12H18N2O2S2 — CID 62871608

IUPACN-methyl-3-(thian-3-ylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NC2CCCSC2)c1
InChIInChI=1S/C12H18N2O2S2/c1-13-18(15,16)12-6-2-4-10(8-12)14-11-5-3-7-17-9-11/h2,4,6,8,11,13-14H,3,5,7,9H2,1H3
InChIKeyOEUDSUXEZZSYDF-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.90
Rot. Bonds4

About N-methyl-3-(thian-3-ylamino)benzenesulfonamide

N-methyl-3-(thian-3-ylamino)benzenesulfonamide (PubChem CID 62871608) has the molecular formula C12H18N2O2S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-methyl-3-(thian-3-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-(thian-3-ylamino)benzenesulfonamide
PubChem CID62871608
Molecular FormulaC12H18N2O2S2
Molecular Weight286.42 g/mol
Exact Mass286.08
IUPAC NameN-methyl-3-(thian-3-ylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NC2CCCSC2)c1
InChIInChI=1S/C12H18N2O2S2/c1-13-18(15,16)12-6-2-4-10(8-12)14-11-5-3-7-17-9-11/h2,4,6,8,11,13-14H,3,5,7,9H2,1H3
InChIKeyOEUDSUXEZZSYDF-UHFFFAOYSA-N
XLogP1.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-3-(thian-3-ylamino)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3-[(thian-3-ylamino)methyl]benzenesulfonamide
CID 86787431
N,4-dimethyl-3-(thian-3-ylamino)benzenesulfonamide
CID 62873281
N-methyl-3-(thian-3-ylamino)benzamide
CID 55129966
N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzenesulfonamide
CID 62704990
N-(3-ethylsulfanylphenyl)thian-3-amine
CID 115885089
3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 64734342
3-[(2,2-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 79828479
(3R)-N-(3,4-dimethylphenyl)thian-3-amine
CID 94885650
N-(thian-3-yl)benzenesulfonamide
CID 115675274
N-methyl-3-(methylamino)benzenesulfonamide
CID 63089854
5-amino-N-methyl-2-(thian-3-ylamino)benzenesulfonamide
CID 103287438
3-[3-(thian-3-ylamino)phenyl]propanoic acid
CID 122044536

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(thian-3-ylamino)benzenesulfonamide?
The IUPAC name of N-methyl-3-(thian-3-ylamino)benzenesulfonamide (CID 62871608) is N-methyl-3-(thian-3-ylamino)benzenesulfonamide.
What is the SMILES notation for N-methyl-3-(thian-3-ylamino)benzenesulfonamide?
The canonical SMILES for N-methyl-3-(thian-3-ylamino)benzenesulfonamide is CNS(=O)(=O)c1cccc(NC2CCCSC2)c1.
What is the InChIKey of N-methyl-3-(thian-3-ylamino)benzenesulfonamide?
The InChIKey is OEUDSUXEZZSYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S2/c1-13-18(15,16)12-6-2-4-10(8-12)14-11-5-3-7-17-9-11/h2,4,6,8,11,13-14H,3,5,7,9H2,1H3.
What are the key properties of N-methyl-3-(thian-3-ylamino)benzenesulfonamide?
N-methyl-3-(thian-3-ylamino)benzenesulfonamide has a molecular weight of 286.42 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(thian-3-ylamino)benzenesulfonamide is sourced from PubChem (CID 62871608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).