4-[methyl-(3-methylcyclohexyl)sulfamoyl]benzenecarbothioamide

C15H22N2O2S2 — CID 61446796

IUPAC4-[methyl-(3-methylcyclohexyl)sulfamoyl]benzenecarbothioamide
SMILESCC1CCCC(N(C)S(=O)(=O)c2ccc(C(N)=S)cc2)C1
InChIInChI=1S/C15H22N2O2S2/c1-11-4-3-5-13(10-11)17(2)21(18,19)14-8-6-12(7-9-14)15(16)20/h6-9,11,13H,3-5,10H2,1-2H3,(H2,16,20)
InChIKeyOPPGOIVHLAIUQJ-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.52
Rot. Bonds4

About 4-[methyl-(3-methylcyclohexyl)sulfamoyl]benzenecarbothioamide

4-[methyl-(3-methylcyclohexyl)sulfamoyl]benzenecarbothioamide (PubChem CID 61446796) has the molecular formula C15H22N2O2S2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 4-[methyl-(3-methylcyclohexyl)sulfamoyl]benzenecarbothioamide.

Molecular Properties

Compound Name4-[methyl-(3-methylcyclohexyl)sulfamoyl]benzenecarbothioamide
PubChem CID61446796
Molecular FormulaC15H22N2O2S2
Molecular Weight326.49 g/mol
Exact Mass326.11
IUPAC Name4-[methyl-(3-methylcyclohexyl)sulfamoyl]benzenecarbothioamide
SMILESCC1CCCC(N(C)S(=O)(=O)c2ccc(C(N)=S)cc2)C1
InChIInChI=1S/C15H22N2O2S2/c1-11-4-3-5-13(10-11)17(2)21(18,19)14-8-6-12(7-9-14)15(16)20/h6-9,11,13H,3-5,10H2,1-2H3,(H2,16,20)
InChIKeyOPPGOIVHLAIUQJ-UHFFFAOYSA-N
XLogP2.52
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-[methyl-(3-methylcyclohexyl)sulfamoyl]benzenecarbothioamide 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

4-[cyclopropyl(methyl)sulfamoyl]benzenecarbothioamide
CID 43265132
4-[cyclohexyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 43107449
N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421962
4-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 43264374
4-bromo-3-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 103697325
6-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carbothioamide
CID 54948080
4-[cyclohexyl(methyl)sulfamoyl]-2-methylbenzenecarbothioamide
CID 106919946
3-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 63289031
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257
3-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 61446778
4-[2-hydroxyethyl(methyl)sulfamoyl]benzenecarbothioamide
CID 54879331
methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 26526871

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(3-methylcyclohexyl)sulfamoyl]benzenecarbothioamide?
The IUPAC name of 4-[methyl-(3-methylcyclohexyl)sulfamoyl]benzenecarbothioamide (CID 61446796) is 4-[methyl-(3-methylcyclohexyl)sulfamoyl]benzenecarbothioamide.
What is the SMILES notation for 4-[methyl-(3-methylcyclohexyl)sulfamoyl]benzenecarbothioamide?
The canonical SMILES for 4-[methyl-(3-methylcyclohexyl)sulfamoyl]benzenecarbothioamide is CC1CCCC(N(C)S(=O)(=O)c2ccc(C(N)=S)cc2)C1.
What is the InChIKey of 4-[methyl-(3-methylcyclohexyl)sulfamoyl]benzenecarbothioamide?
The InChIKey is OPPGOIVHLAIUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S2/c1-11-4-3-5-13(10-11)17(2)21(18,19)14-8-6-12(7-9-14)15(16)20/h6-9,11,13H,3-5,10H2,1-2H3,(H2,16,20).
What are the key properties of 4-[methyl-(3-methylcyclohexyl)sulfamoyl]benzenecarbothioamide?
4-[methyl-(3-methylcyclohexyl)sulfamoyl]benzenecarbothioamide has a molecular weight of 326.49 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(3-methylcyclohexyl)sulfamoyl]benzenecarbothioamide is sourced from PubChem (CID 61446796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).