1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide

C14H21N3O3S — CID 119308071

IUPAC1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2cccc(CS(N)(=O)=O)c2)CCCCC1
InChIInChI=1S/C14H21N3O3S/c15-14(7-2-1-3-8-14)13(18)17-12-6-4-5-11(9-12)10-21(16,19)20/h4-6,9H,1-3,7-8,10,15H2,(H,17,18)(H2,16,19,20)
InChIKeyOQVGIAGXKWRKJV-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.08
Rot. Bonds4

About 1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide

1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 119308071) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide
PubChem CID119308071
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2cccc(CS(N)(=O)=O)c2)CCCCC1
InChIInChI=1S/C14H21N3O3S/c15-14(7-2-1-3-8-14)13(18)17-12-6-4-5-11(9-12)10-21(16,19)20/h4-6,9H,1-3,7-8,10,15H2,(H,17,18)(H2,16,19,20)
InChIKeyOQVGIAGXKWRKJV-UHFFFAOYSA-N
XLogP1.08
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide 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-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119308070
1-amino-N-[3-(propan-2-ylsulfonylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119324028
1-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]cyclopropane-1-carboxamide
CID 119784532
1-amino-N-[3-(methoxymethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119288741
1-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119327475
3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid
CID 61157848
1-amino-N-[3-(propan-2-yloxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119306290
1-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 119899053
1-amino-N-[3-(methylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119293957
N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride
CID 119280076
1-amino-N-[3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119283953
1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119869772

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide (CID 119308071) is 1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide is NC1(C(=O)Nc2cccc(CS(N)(=O)=O)c2)CCCCC1.
What is the InChIKey of 1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is OQVGIAGXKWRKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c15-14(7-2-1-3-8-14)13(18)17-12-6-4-5-11(9-12)10-21(16,19)20/h4-6,9H,1-3,7-8,10,15H2,(H,17,18)(H2,16,19,20).
What are the key properties of 1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide?
1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119308071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).