1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-amine

C15H23NS — CID 66097359

IUPAC1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-amine
SMILESCc1ccccc1SCC(N)CC1CCCC1
InChIInChI=1S/C15H23NS/c1-12-6-2-5-9-15(12)17-11-14(16)10-13-7-3-4-8-13/h2,5-6,9,13-14H,3-4,7-8,10-11,16H2,1H3
InChIKeyRERBJCAWCDJSSU-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.99
Rot. Bonds5

About 1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-amine

1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-amine (PubChem CID 66097359) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-amine
PubChem CID66097359
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-amine
SMILESCc1ccccc1SCC(N)CC1CCCC1
InChIInChI=1S/C15H23NS/c1-12-6-2-5-9-15(12)17-11-14(16)10-13-7-3-4-8-13/h2,5-6,9,13-14H,3-4,7-8,10-11,16H2,1H3
InChIKeyRERBJCAWCDJSSU-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-amine 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

1-cyclohexyl-2-(2-methylphenyl)sulfanylethanamine
CID 66096114
1-cyclopentyl-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine
CID 66096136
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66397190
1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66095879
N-methyl-1-(3-methylcyclohexyl)-2-(2-methylphenyl)sulfanylethanamine
CID 66098636
1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098425
1-(2-methylphenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
CID 66099254
1-cyclobutyl-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66096093
2-(3-cyclopentyl-2-hydroxypropyl)sulfanylphenol
CID 103160778
1,3-dicyclopentylpropan-2-amine
CID 58122660
2-cycloheptyl-1-phenylethanamine
CID 21261900
1-(2-methylphenyl)sulfanyl-5-methylsulfonylpentan-2-amine
CID 66099255

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-amine (CID 66097359) is 1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-amine is Cc1ccccc1SCC(N)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-amine?
The InChIKey is RERBJCAWCDJSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-12-6-2-5-9-15(12)17-11-14(16)10-13-7-3-4-8-13/h2,5-6,9,13-14H,3-4,7-8,10-11,16H2,1H3.
What are the key properties of 1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-amine?
1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-amine has a molecular weight of 249.42 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 66097359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).