N-[2-(aminomethyl)phenyl]-2-cyclohexylsulfonylacetamide

C15H22N2O3S — CID 64696815

IUPACN-[2-(aminomethyl)phenyl]-2-cyclohexylsulfonylacetamide
SMILESNCc1ccccc1NC(=O)CS(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H22N2O3S/c16-10-12-6-4-5-9-14(12)17-15(18)11-21(19,20)13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10-11,16H2,(H,17,18)
InChIKeyWUGVYPGXTPEYTA-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.83
Rot. Bonds5

About N-[2-(aminomethyl)phenyl]-2-cyclohexylsulfonylacetamide

N-[2-(aminomethyl)phenyl]-2-cyclohexylsulfonylacetamide (PubChem CID 64696815) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-cyclohexylsulfonylacetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-cyclohexylsulfonylacetamide
PubChem CID64696815
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[2-(aminomethyl)phenyl]-2-cyclohexylsulfonylacetamide
SMILESNCc1ccccc1NC(=O)CS(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H22N2O3S/c16-10-12-6-4-5-9-14(12)17-15(18)11-21(19,20)13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10-11,16H2,(H,17,18)
InChIKeyWUGVYPGXTPEYTA-UHFFFAOYSA-N
XLogP1.83
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(aminomethyl)phenyl]-2-cyclohexylsulfonylacetamide 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

N-(2-cyanophenyl)-2-cyclohexylsulfonylacetamide
CID 64692861
N-[2-(aminomethyl)phenyl]-2-cyclobutylacetamide
CID 103164982
2-[2-(3-cyclopentylsulfonylpropanoylamino)phenyl]acetic acid
CID 119218357
N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethylsulfonyl)acetamide
CID 106497396
N-[2-(aminomethyl)phenyl]-2-cyclopentyloxyacetamide
CID 16795947
N-(4-amino-2-methylphenyl)-2-cyclohexylsulfonylacetamide
CID 60886370
N-[2-(aminomethyl)phenyl]-3-(cyclopentylmethylsulfinyl)propanamide
CID 81334230
N-[2-(aminomethyl)phenyl]-2-(2-ethylazepan-1-yl)acetamide
CID 104689093
[2-(cyclopentylsulfonylmethyl)phenyl]methanamine
CID 64696628
N-(4-amino-2-methylphenyl)-2-cyclopentylsulfonylacetamide
CID 63115519
N-[2-(aminomethyl)phenyl]carbamoyl chloride
CID 142823786
N-[2-(aminomethyl)phenyl]thiolane-3-carboxamide
CID 64884692

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-cyclohexylsulfonylacetamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-cyclohexylsulfonylacetamide (CID 64696815) is N-[2-(aminomethyl)phenyl]-2-cyclohexylsulfonylacetamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-cyclohexylsulfonylacetamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-cyclohexylsulfonylacetamide is NCc1ccccc1NC(=O)CS(=O)(=O)C1CCCCC1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-cyclohexylsulfonylacetamide?
The InChIKey is WUGVYPGXTPEYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c16-10-12-6-4-5-9-14(12)17-15(18)11-21(19,20)13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10-11,16H2,(H,17,18).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-cyclohexylsulfonylacetamide?
N-[2-(aminomethyl)phenyl]-2-cyclohexylsulfonylacetamide has a molecular weight of 310.42 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-cyclohexylsulfonylacetamide is sourced from PubChem (CID 64696815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).