1-[3-(methylsulfonylmethyl)phenyl]cyclopentan-1-amine

C13H19NO2S — CID 117386737

IUPAC1-[3-(methylsulfonylmethyl)phenyl]cyclopentan-1-amine
SMILESCS(=O)(=O)Cc1cccc(C2(N)CCCC2)c1
InChIInChI=1S/C13H19NO2S/c1-17(15,16)10-11-5-4-6-12(9-11)13(14)7-2-3-8-13/h4-6,9H,2-3,7-8,10,14H2,1H3
InChIKeyPWLYQWFIENVDFU-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.96
Rot. Bonds3

About 1-[3-(methylsulfonylmethyl)phenyl]cyclopentan-1-amine

1-[3-(methylsulfonylmethyl)phenyl]cyclopentan-1-amine (PubChem CID 117386737) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[3-(methylsulfonylmethyl)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[3-(methylsulfonylmethyl)phenyl]cyclopentan-1-amine
PubChem CID117386737
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-[3-(methylsulfonylmethyl)phenyl]cyclopentan-1-amine
SMILESCS(=O)(=O)Cc1cccc(C2(N)CCCC2)c1
InChIInChI=1S/C13H19NO2S/c1-17(15,16)10-11-5-4-6-12(9-11)13(14)7-2-3-8-13/h4-6,9H,2-3,7-8,10,14H2,1H3
InChIKeyPWLYQWFIENVDFU-UHFFFAOYSA-N
XLogP1.96
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(methylsulfonylmethyl)phenyl]cyclopentan-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 1-[3-(methylsulfonylmethyl)phenyl]cyclopentan-1-amine?
The IUPAC name of 1-[3-(methylsulfonylmethyl)phenyl]cyclopentan-1-amine (CID 117386737) is 1-[3-(methylsulfonylmethyl)phenyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[3-(methylsulfonylmethyl)phenyl]cyclopentan-1-amine?
The canonical SMILES for 1-[3-(methylsulfonylmethyl)phenyl]cyclopentan-1-amine is CS(=O)(=O)Cc1cccc(C2(N)CCCC2)c1.
What is the InChIKey of 1-[3-(methylsulfonylmethyl)phenyl]cyclopentan-1-amine?
The InChIKey is PWLYQWFIENVDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-17(15,16)10-11-5-4-6-12(9-11)13(14)7-2-3-8-13/h4-6,9H,2-3,7-8,10,14H2,1H3.
What are the key properties of 1-[3-(methylsulfonylmethyl)phenyl]cyclopentan-1-amine?
1-[3-(methylsulfonylmethyl)phenyl]cyclopentan-1-amine has a molecular weight of 253.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylsulfonylmethyl)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 117386737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).