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

C15H24N2O2S — CID 64732456

IUPAC5-amino-N-(3,5-dimethylcyclohexyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NC1CC(C)CC(C)C1
InChIInChI=1S/C15H24N2O2S/c1-10-6-11(2)8-14(7-10)17-20(18,19)15-9-13(16)5-4-12(15)3/h4-5,9-11,14,17H,6-8,16H2,1-3H3
InChIKeyDJSPDOVSYANWBD-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.68
Rot. Bonds3

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

5-amino-N-(3,5-dimethylcyclohexyl)-2-methylbenzenesulfonamide (PubChem CID 64732456) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 5-amino-N-(3,5-dimethylcyclohexyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(3,5-dimethylcyclohexyl)-2-methylbenzenesulfonamide
PubChem CID64732456
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name5-amino-N-(3,5-dimethylcyclohexyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NC1CC(C)CC(C)C1
InChIInChI=1S/C15H24N2O2S/c1-10-6-11(2)8-14(7-10)17-20(18,19)15-9-13(16)5-4-12(15)3/h4-5,9-11,14,17H,6-8,16H2,1-3H3
InChIKeyDJSPDOVSYANWBD-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

4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467087
4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 64732843
3-amino-2,4-dimethyl-N-(3-methylcyclobutyl)benzenesulfonamide
CID 114240440
5-(aminomethyl)-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467168
5-amino-2-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 80717243
3-amino-N-(3,5-dimethylcyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 79885079
3-amino-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467078
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide
CID 107213448
5-amino-3-chloro-2-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467079
5-amino-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 80715264
4-amino-2,6-dibromo-N-(3,5-dimethylcyclohexyl)benzenesulfonamide
CID 64733233
5-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylbenzenesulfonamide
CID 43101359

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3,5-dimethylcyclohexyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(3,5-dimethylcyclohexyl)-2-methylbenzenesulfonamide (CID 64732456) is 5-amino-N-(3,5-dimethylcyclohexyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(3,5-dimethylcyclohexyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(3,5-dimethylcyclohexyl)-2-methylbenzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)NC1CC(C)CC(C)C1.
What is the InChIKey of 5-amino-N-(3,5-dimethylcyclohexyl)-2-methylbenzenesulfonamide?
The InChIKey is DJSPDOVSYANWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10-6-11(2)8-14(7-10)17-20(18,19)15-9-13(16)5-4-12(15)3/h4-5,9-11,14,17H,6-8,16H2,1-3H3.
What are the key properties of 5-amino-N-(3,5-dimethylcyclohexyl)-2-methylbenzenesulfonamide?
5-amino-N-(3,5-dimethylcyclohexyl)-2-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 5-amino-N-(3,5-dimethylcyclohexyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 64732456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).