1-[2-(aminomethyl)phenyl]-N-(2,4-dimethylcyclohexyl)methanesulfonamide

C16H26N2O2S — CID 63996288

IUPAC1-[2-(aminomethyl)phenyl]-N-(2,4-dimethylcyclohexyl)methanesulfonamide
SMILESCC1CCC(NS(=O)(=O)Cc2ccccc2CN)C(C)C1
InChIInChI=1S/C16H26N2O2S/c1-12-7-8-16(13(2)9-12)18-21(19,20)11-15-6-4-3-5-14(15)10-17/h3-6,12-13,16,18H,7-11,17H2,1-2H3
InChIKeyAYLRUEPTDZXJKT-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.39
Rot. Bonds5

About 1-[2-(aminomethyl)phenyl]-N-(2,4-dimethylcyclohexyl)methanesulfonamide

1-[2-(aminomethyl)phenyl]-N-(2,4-dimethylcyclohexyl)methanesulfonamide (PubChem CID 63996288) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-N-(2,4-dimethylcyclohexyl)methanesulfonamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-N-(2,4-dimethylcyclohexyl)methanesulfonamide
PubChem CID63996288
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name1-[2-(aminomethyl)phenyl]-N-(2,4-dimethylcyclohexyl)methanesulfonamide
SMILESCC1CCC(NS(=O)(=O)Cc2ccccc2CN)C(C)C1
InChIInChI=1S/C16H26N2O2S/c1-12-7-8-16(13(2)9-12)18-21(19,20)11-15-6-4-3-5-14(15)10-17/h3-6,12-13,16,18H,7-11,17H2,1-2H3
InChIKeyAYLRUEPTDZXJKT-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(aminomethyl)phenyl]-N-(2,4-dimethylcyclohexyl)methanesulfonamide 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

1-[2-(aminomethyl)phenyl]-N-(2-methylcyclohexyl)methanesulfonamide
CID 43094907
1-(2-cyanophenyl)-N-(2,4-dimethylcyclohexyl)methanesulfonamide
CID 63997155
1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
CID 61446862
5-(aminomethyl)-2-bromo-N-(2,4-dimethylcyclohexyl)benzenesulfonamide
CID 106063422
N-(2,4-dimethylcyclohexyl)-2-methylsulfonylaniline
CID 63996716
[2-[(4-methylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine;hydrochloride
CID 71757298
methyl 2-[(3-methylpiperidin-4-yl)sulfamoylmethyl]benzoate
CID 120724964
5-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-4-methylthiophene-2-sulfonamide
CID 106063436
[2-(methylsulfonylmethyl)phenyl]methanamine
CID 64697035
methyl 2-[[(2,4-dimethylcyclohexyl)amino]methyl]benzoate
CID 63995434
1-[2-(aminomethyl)phenyl]-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 106024265
1-[2-(aminomethyl)phenyl]-N-(3-ethylpentan-3-yl)methanesulfonamide
CID 65038831

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-N-(2,4-dimethylcyclohexyl)methanesulfonamide?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-N-(2,4-dimethylcyclohexyl)methanesulfonamide (CID 63996288) is 1-[2-(aminomethyl)phenyl]-N-(2,4-dimethylcyclohexyl)methanesulfonamide.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-N-(2,4-dimethylcyclohexyl)methanesulfonamide?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-N-(2,4-dimethylcyclohexyl)methanesulfonamide is CC1CCC(NS(=O)(=O)Cc2ccccc2CN)C(C)C1.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-N-(2,4-dimethylcyclohexyl)methanesulfonamide?
The InChIKey is AYLRUEPTDZXJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-12-7-8-16(13(2)9-12)18-21(19,20)11-15-6-4-3-5-14(15)10-17/h3-6,12-13,16,18H,7-11,17H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)phenyl]-N-(2,4-dimethylcyclohexyl)methanesulfonamide?
1-[2-(aminomethyl)phenyl]-N-(2,4-dimethylcyclohexyl)methanesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-N-(2,4-dimethylcyclohexyl)methanesulfonamide is sourced from PubChem (CID 63996288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).