4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide

C16H26N2O2S — CID 106919354

IUPAC4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)C2CCCCC2)ccc1CN
InChIInChI=1S/C16H26N2O2S/c1-12-10-16(9-8-15(12)11-17)21(19,20)18-13(2)14-6-4-3-5-7-14/h8-10,13-14,18H,3-7,11,17H2,1-2H3
InChIKeySWMQGNZCFDBLBX-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.70
Rot. Bonds5

About 4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide

4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide (PubChem CID 106919354) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide
PubChem CID106919354
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)C2CCCCC2)ccc1CN
InChIInChI=1S/C16H26N2O2S/c1-12-10-16(9-8-15(12)11-17)21(19,20)18-13(2)14-6-4-3-5-7-14/h8-10,13-14,18H,3-7,11,17H2,1-2H3
InChIKeySWMQGNZCFDBLBX-UHFFFAOYSA-N
XLogP2.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide 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-(aminomethyl)-N-(1-cyclobutylethyl)-3-methylbenzenesulfonamide
CID 106919604
3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide
CID 106084883
4-(aminomethyl)-N-(dicyclopropylmethyl)-3-methylbenzenesulfonamide
CID 106919258
3-(aminomethyl)-4-chloro-N-(1-cyclopentylethyl)benzenesulfonamide
CID 106066129
4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide
CID 106919425
N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106066098
4-(aminomethyl)-N-(1-cyclohexylethyl)-2-methylbenzenesulfonamide
CID 106996908
4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide
CID 106919131
4-cyano-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide
CID 106833286
6-(aminomethyl)-N-(1-cyclopentylethyl)pyridine-3-sulfonamide
CID 114613542
4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide
CID 106919419
3-amino-N-(1-cyclohexylethyl)benzenesulfonamide
CID 62406253

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide (CID 106919354) is 4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC(C)C2CCCCC2)ccc1CN.
What is the InChIKey of 4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide?
The InChIKey is SWMQGNZCFDBLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-12-10-16(9-8-15(12)11-17)21(19,20)18-13(2)14-6-4-3-5-7-14/h8-10,13-14,18H,3-7,11,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide?
4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 106919354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).