3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide

C14H20N2O3S — CID 63042501

IUPAC3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C14H20N2O3S/c1-20(18,19)13-7-5-12(6-8-13)16-14(17)10-3-2-4-11(15)9-10/h5-8,10-11H,2-4,9,15H2,1H3,(H,16,17)
InChIKeyZOBLTQFQAOUCDX-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.55
Rot. Bonds3

About 3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide

3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide (PubChem CID 63042501) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
PubChem CID63042501
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C14H20N2O3S/c1-20(18,19)13-7-5-12(6-8-13)16-14(17)10-3-2-4-11(15)9-10/h5-8,10-11H,2-4,9,15H2,1H3,(H,16,17)
InChIKeyZOBLTQFQAOUCDX-UHFFFAOYSA-N
XLogP1.55
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(4-methylsulfonylphenyl)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

3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide
CID 119769506
3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119769505
3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 63044303
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide
CID 119711119
3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 63044136
3-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119685724
3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 63041991
3-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide
CID 119800489
3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 63043789
N-[4-[4-(cyclobutanecarbonylamino)phenyl]sulfonylphenyl]cyclobutanecarboxamide
CID 9394899

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide (CID 63042501) is 3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide is CS(=O)(=O)c1ccc(NC(=O)C2CCCC(N)C2)cc1.
What is the InChIKey of 3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide?
The InChIKey is ZOBLTQFQAOUCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-20(18,19)13-7-5-12(6-8-13)16-14(17)10-3-2-4-11(15)9-10/h5-8,10-11H,2-4,9,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide?
3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63042501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).