N-(4-aminocyclohexyl)-4-methoxy-N-methylbenzenesulfonamide

C14H22N2O3S — CID 79122048

IUPACN-(4-aminocyclohexyl)-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C2CCC(N)CC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-16(12-5-3-11(15)4-6-12)20(17,18)14-9-7-13(19-2)8-10-14/h7-12H,3-6,15H2,1-2H3
InChIKeyXPPIXYGJZVAZJC-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.59
Rot. Bonds4

About N-(4-aminocyclohexyl)-4-methoxy-N-methylbenzenesulfonamide

N-(4-aminocyclohexyl)-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 79122048) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-methoxy-N-methylbenzenesulfonamide
PubChem CID79122048
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(4-aminocyclohexyl)-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C2CCC(N)CC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-16(12-5-3-11(15)4-6-12)20(17,18)14-9-7-13(19-2)8-10-14/h7-12H,3-6,15H2,1-2H3
InChIKeyXPPIXYGJZVAZJC-UHFFFAOYSA-N
XLogP1.59
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-aminocyclohexyl)-4-methoxy-N-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-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 715058
N-(4-aminocyclohexyl)-3,5-dichloro-N-methylbenzenesulfonamide
CID 79120752
N-[(1S,2R)-2-hydroxycyclohexyl]-4-methoxy-N-methylbenzenesulfonamide
CID 124758353
4-(4-methoxyphenyl)-N-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 90801739
4-[cyclopropyl(methyl)sulfamoyl]benzenecarbothioamide
CID 43265132
4-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110752470
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 9189457
4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650716
N-(4-aminocyclohexyl)-N-ethyl-4-methoxybenzamide
CID 79115419
4-amino-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide
CID 129391721
4-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 61435229
N-(4-aminocyclohexyl)-N,5-dimethylthiophene-2-sulfonamide
CID 79120828

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-methoxy-N-methylbenzenesulfonamide (CID 79122048) is N-(4-aminocyclohexyl)-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)C2CCC(N)CC2)cc1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is XPPIXYGJZVAZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-16(12-5-3-11(15)4-6-12)20(17,18)14-9-7-13(19-2)8-10-14/h7-12H,3-6,15H2,1-2H3.
What are the key properties of N-(4-aminocyclohexyl)-4-methoxy-N-methylbenzenesulfonamide?
N-(4-aminocyclohexyl)-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 79122048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).