3-(cyclopentylmethylsulfanyl)pentan-1-amine

C11H23NS — CID 63119733

IUPAC3-(cyclopentylmethylsulfanyl)pentan-1-amine
SMILESCCC(CCN)SCC1CCCC1
InChIInChI=1S/C11H23NS/c1-2-11(7-8-12)13-9-10-5-3-4-6-10/h10-11H,2-9,12H2,1H3
InChIKeyXINTWDQCAGSZQP-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.04
Rot. Bonds6

About 3-(cyclopentylmethylsulfanyl)pentan-1-amine

3-(cyclopentylmethylsulfanyl)pentan-1-amine (PubChem CID 63119733) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 3-(cyclopentylmethylsulfanyl)pentan-1-amine.

Molecular Properties

Compound Name3-(cyclopentylmethylsulfanyl)pentan-1-amine
PubChem CID63119733
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name3-(cyclopentylmethylsulfanyl)pentan-1-amine
SMILESCCC(CCN)SCC1CCCC1
InChIInChI=1S/C11H23NS/c1-2-11(7-8-12)13-9-10-5-3-4-6-10/h10-11H,2-9,12H2,1H3
InChIKeyXINTWDQCAGSZQP-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(cyclopentylmethylsulfanyl)pentan-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 3-(cyclopentylmethylsulfanyl)pentan-1-amine?
The IUPAC name of 3-(cyclopentylmethylsulfanyl)pentan-1-amine (CID 63119733) is 3-(cyclopentylmethylsulfanyl)pentan-1-amine.
What is the SMILES notation for 3-(cyclopentylmethylsulfanyl)pentan-1-amine?
The canonical SMILES for 3-(cyclopentylmethylsulfanyl)pentan-1-amine is CCC(CCN)SCC1CCCC1.
What is the InChIKey of 3-(cyclopentylmethylsulfanyl)pentan-1-amine?
The InChIKey is XINTWDQCAGSZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-2-11(7-8-12)13-9-10-5-3-4-6-10/h10-11H,2-9,12H2,1H3.
What are the key properties of 3-(cyclopentylmethylsulfanyl)pentan-1-amine?
3-(cyclopentylmethylsulfanyl)pentan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylsulfanyl)pentan-1-amine is sourced from PubChem (CID 63119733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).