3-amino-N-(2,3-dimethylcyclohexyl)-5-methylbenzenesulfonamide

C15H24N2O2S — CID 43256183

IUPAC3-amino-N-(2,3-dimethylcyclohexyl)-5-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NC2CCCC(C)C2C)c1
InChIInChI=1S/C15H24N2O2S/c1-10-7-13(16)9-14(8-10)20(18,19)17-15-6-4-5-11(2)12(15)3/h7-9,11-12,15,17H,4-6,16H2,1-3H3
InChIKeyHLGCNTYLIJUXCF-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.68
Rot. Bonds3

About 3-amino-N-(2,3-dimethylcyclohexyl)-5-methylbenzenesulfonamide

3-amino-N-(2,3-dimethylcyclohexyl)-5-methylbenzenesulfonamide (PubChem CID 43256183) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-amino-N-(2,3-dimethylcyclohexyl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,3-dimethylcyclohexyl)-5-methylbenzenesulfonamide
PubChem CID43256183
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-amino-N-(2,3-dimethylcyclohexyl)-5-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NC2CCCC(C)C2C)c1
InChIInChI=1S/C15H24N2O2S/c1-10-7-13(16)9-14(8-10)20(18,19)17-15-6-4-5-11(2)12(15)3/h7-9,11-12,15,17H,4-6,16H2,1-3H3
InChIKeyHLGCNTYLIJUXCF-UHFFFAOYSA-N
XLogP2.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 7728447
2-amino-N-(2,3-dimethylcyclohexyl)pyridine-4-sulfonamide
CID 55044375
2-[(3,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64817207
4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11895768
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181
4-[(2,3-dimethylcyclohexyl)sulfamoyl]benzenecarbothioamide
CID 43102649
N-(2,3-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide
CID 61003120
4-amino-2,6-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 79588504
4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11928439
4-(difluoromethylsulfonyl)-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 42958006
4-(difluoromethylsulfonyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 98672836
3-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 63288235

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dimethylcyclohexyl)-5-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2,3-dimethylcyclohexyl)-5-methylbenzenesulfonamide (CID 43256183) is 3-amino-N-(2,3-dimethylcyclohexyl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2,3-dimethylcyclohexyl)-5-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2,3-dimethylcyclohexyl)-5-methylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NC2CCCC(C)C2C)c1.
What is the InChIKey of 3-amino-N-(2,3-dimethylcyclohexyl)-5-methylbenzenesulfonamide?
The InChIKey is HLGCNTYLIJUXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10-7-13(16)9-14(8-10)20(18,19)17-15-6-4-5-11(2)12(15)3/h7-9,11-12,15,17H,4-6,16H2,1-3H3.
What are the key properties of 3-amino-N-(2,3-dimethylcyclohexyl)-5-methylbenzenesulfonamide?
3-amino-N-(2,3-dimethylcyclohexyl)-5-methylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dimethylcyclohexyl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 43256183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).