4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide

C15H23N3O3S — CID 120607111

IUPAC4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide
SMILESCC1CCCCC1(CN)NS(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C15H23N3O3S/c1-11-4-2-3-9-15(11,10-16)18-22(20,21)13-7-5-12(6-8-13)14(17)19/h5-8,11,18H,2-4,9-10,16H2,1H3,(H2,17,19)
InChIKeyWGPASOCXPXUIIU-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.97
Rot. Bonds5

About 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide

4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide (PubChem CID 120607111) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide
PubChem CID120607111
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide
SMILESCC1CCCCC1(CN)NS(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C15H23N3O3S/c1-11-4-2-3-9-15(11,10-16)18-22(20,21)13-7-5-12(6-8-13)14(17)19/h5-8,11,18H,2-4,9-10,16H2,1H3,(H2,17,19)
InChIKeyWGPASOCXPXUIIU-UHFFFAOYSA-N
XLogP0.97
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide 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-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-N-methylbenzamide
CID 120607207
3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide;hydrochloride
CID 120607408
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide
CID 115308869
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-ethylbenzenesulfonamide;hydrochloride
CID 120607414
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide
CID 120607480
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 120607479
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-propanoylbenzenesulfonamide;hydrochloride
CID 120607192
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 120607447
N-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride
CID 120607244
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-phenylpyrimidine-5-sulfonamide;hydrochloride
CID 120713581
4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-N-methylbenzenesulfonamide
CID 115308945
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methylthiophene-2-sulfonamide;hydrochloride
CID 120607415

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide?
The IUPAC name of 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide (CID 120607111) is 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide.
What is the SMILES notation for 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide?
The canonical SMILES for 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide is CC1CCCCC1(CN)NS(=O)(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide?
The InChIKey is WGPASOCXPXUIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-11-4-2-3-9-15(11,10-16)18-22(20,21)13-7-5-12(6-8-13)14(17)19/h5-8,11,18H,2-4,9-10,16H2,1H3,(H2,17,19).
What are the key properties of 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide?
4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide has a molecular weight of 325.43 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide is sourced from PubChem (CID 120607111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).