N-[(1-aminocyclohexyl)methyl]-2-phenylethanesulfonamide;hydrochloride

C15H25ClN2O2S — CID 119958854

IUPACN-[(1-aminocyclohexyl)methyl]-2-phenylethanesulfonamide;hydrochloride
SMILESCl.NC1(CNS(=O)(=O)CCc2ccccc2)CCCCC1
InChIInChI=1S/C15H24N2O2S.ClH/c16-15(10-5-2-6-11-15)13-17-20(18,19)12-9-14-7-3-1-4-8-14;/h1,3-4,7-8,17H,2,5-6,9-13,16H2;1H
InChIKeyBFSAKTJGFAYFCR-UHFFFAOYSA-N
MW332.90 g/mol
LogP2.23
Rot. Bonds6

About N-[(1-aminocyclohexyl)methyl]-2-phenylethanesulfonamide;hydrochloride

N-[(1-aminocyclohexyl)methyl]-2-phenylethanesulfonamide;hydrochloride (PubChem CID 119958854) has the molecular formula C15H25ClN2O2S and a molecular weight of 332.90 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-2-phenylethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-2-phenylethanesulfonamide;hydrochloride
PubChem CID119958854
Molecular FormulaC15H25ClN2O2S
Molecular Weight332.90 g/mol
Exact Mass332.13
IUPAC NameN-[(1-aminocyclohexyl)methyl]-2-phenylethanesulfonamide;hydrochloride
SMILESCl.NC1(CNS(=O)(=O)CCc2ccccc2)CCCCC1
InChIInChI=1S/C15H24N2O2S.ClH/c16-15(10-5-2-6-11-15)13-17-20(18,19)12-9-14-7-3-1-4-8-14;/h1,3-4,7-8,17H,2,5-6,9-13,16H2;1H
InChIKeyBFSAKTJGFAYFCR-UHFFFAOYSA-N
XLogP2.23
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.90
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1-aminocyclohexyl)methyl]-2-phenylethanesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-2-phenylethanesulfonamide;hydrochloride?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-2-phenylethanesulfonamide;hydrochloride (CID 119958854) is N-[(1-aminocyclohexyl)methyl]-2-phenylethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-2-phenylethanesulfonamide;hydrochloride?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-2-phenylethanesulfonamide;hydrochloride is Cl.NC1(CNS(=O)(=O)CCc2ccccc2)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-2-phenylethanesulfonamide;hydrochloride?
The InChIKey is BFSAKTJGFAYFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S.ClH/c16-15(10-5-2-6-11-15)13-17-20(18,19)12-9-14-7-3-1-4-8-14;/h1,3-4,7-8,17H,2,5-6,9-13,16H2;1H.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-2-phenylethanesulfonamide;hydrochloride?
N-[(1-aminocyclohexyl)methyl]-2-phenylethanesulfonamide;hydrochloride has a molecular weight of 332.90 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-2-phenylethanesulfonamide;hydrochloride is sourced from PubChem (CID 119958854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).