2-(2-benzylsulfonylethyl)-N-methylcyclopentan-1-amine

C15H23NO2S — CID 79581110

IUPAC2-(2-benzylsulfonylethyl)-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1CCS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C15H23NO2S/c1-16-15-9-5-8-14(15)10-11-19(17,18)12-13-6-3-2-4-7-13/h2-4,6-7,14-16H,5,8-12H2,1H3
InChIKeyFBEIXSNHLGBFJP-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.38
Rot. Bonds6

About 2-(2-benzylsulfonylethyl)-N-methylcyclopentan-1-amine

2-(2-benzylsulfonylethyl)-N-methylcyclopentan-1-amine (PubChem CID 79581110) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(2-benzylsulfonylethyl)-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(2-benzylsulfonylethyl)-N-methylcyclopentan-1-amine
PubChem CID79581110
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-(2-benzylsulfonylethyl)-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1CCS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C15H23NO2S/c1-16-15-9-5-8-14(15)10-11-19(17,18)12-13-6-3-2-4-7-13/h2-4,6-7,14-16H,5,8-12H2,1H3
InChIKeyFBEIXSNHLGBFJP-UHFFFAOYSA-N
XLogP2.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-benzylsulfonylethyl)-N-methylcyclopentan-1-amine 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 2-(2-benzylsulfonylethyl)-N-methylcyclopentan-1-amine?
The IUPAC name of 2-(2-benzylsulfonylethyl)-N-methylcyclopentan-1-amine (CID 79581110) is 2-(2-benzylsulfonylethyl)-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-(2-benzylsulfonylethyl)-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-(2-benzylsulfonylethyl)-N-methylcyclopentan-1-amine is CNC1CCCC1CCS(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-(2-benzylsulfonylethyl)-N-methylcyclopentan-1-amine?
The InChIKey is FBEIXSNHLGBFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-16-15-9-5-8-14(15)10-11-19(17,18)12-13-6-3-2-4-7-13/h2-4,6-7,14-16H,5,8-12H2,1H3.
What are the key properties of 2-(2-benzylsulfonylethyl)-N-methylcyclopentan-1-amine?
2-(2-benzylsulfonylethyl)-N-methylcyclopentan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylsulfonylethyl)-N-methylcyclopentan-1-amine is sourced from PubChem (CID 79581110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).