3-[(2-methylsulfanylcyclopentyl)amino]-3-phenylpropanenitrile

C15H20N2S — CID 114121615

IUPAC3-[(2-methylsulfanylcyclopentyl)amino]-3-phenylpropanenitrile
SMILESCSC1CCCC1NC(CC#N)c1ccccc1
InChIInChI=1S/C15H20N2S/c1-18-15-9-5-8-14(15)17-13(10-11-16)12-6-3-2-4-7-12/h2-4,6-7,13-15,17H,5,8-10H2,1H3
InChIKeyANHBFTPTXULZOO-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.52
Rot. Bonds5

About 3-[(2-methylsulfanylcyclopentyl)amino]-3-phenylpropanenitrile

3-[(2-methylsulfanylcyclopentyl)amino]-3-phenylpropanenitrile (PubChem CID 114121615) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 3-[(2-methylsulfanylcyclopentyl)amino]-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-[(2-methylsulfanylcyclopentyl)amino]-3-phenylpropanenitrile
PubChem CID114121615
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name3-[(2-methylsulfanylcyclopentyl)amino]-3-phenylpropanenitrile
SMILESCSC1CCCC1NC(CC#N)c1ccccc1
InChIInChI=1S/C15H20N2S/c1-18-15-9-5-8-14(15)17-13(10-11-16)12-6-3-2-4-7-12/h2-4,6-7,13-15,17H,5,8-10H2,1H3
InChIKeyANHBFTPTXULZOO-UHFFFAOYSA-N
XLogP3.52
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2-methylsulfanylcyclopentyl)amino]-3-phenylpropanenitrile 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

Cyclopentyl-(1-phenyl-ethyl)-amine
CID 427071
2-Methyl-2-phenylthiazolidine
CID 120795
3-Phenylthiomorpholine
CID 4685153
N-[[(4R)-2-phenyl-1,3-thiazolidin-4-yl]methyl]hexadecan-1-amine
CID 46231971
2-(Benzylamino)propanenitrile
CID 357954
2-Ethyl-2-phenyl-1,3-thiazolidine
CID 208012
2-Phenyl-2-propyl-1,3-thiazolidine
CID 3087733
Thiazolidine, 2,5-dimethyl-2-phenyl-
CID 3087742
3-(Methylamino)-3-phenylpropanenitrile
CID 22091871
N4-Benzyl-2-(methylthioethyl)piperazine
CID 24948382
2-dimethylaminoethyl N-(1-phenylethyl)carbamodithioate
CID 3008018
2-dimethylaminoethyl N-(1-phenylpropyl)carbamodithioate
CID 3008020

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylsulfanylcyclopentyl)amino]-3-phenylpropanenitrile?
The IUPAC name of 3-[(2-methylsulfanylcyclopentyl)amino]-3-phenylpropanenitrile (CID 114121615) is 3-[(2-methylsulfanylcyclopentyl)amino]-3-phenylpropanenitrile.
What is the SMILES notation for 3-[(2-methylsulfanylcyclopentyl)amino]-3-phenylpropanenitrile?
The canonical SMILES for 3-[(2-methylsulfanylcyclopentyl)amino]-3-phenylpropanenitrile is CSC1CCCC1NC(CC#N)c1ccccc1.
What is the InChIKey of 3-[(2-methylsulfanylcyclopentyl)amino]-3-phenylpropanenitrile?
The InChIKey is ANHBFTPTXULZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-18-15-9-5-8-14(15)17-13(10-11-16)12-6-3-2-4-7-12/h2-4,6-7,13-15,17H,5,8-10H2,1H3.
What are the key properties of 3-[(2-methylsulfanylcyclopentyl)amino]-3-phenylpropanenitrile?
3-[(2-methylsulfanylcyclopentyl)amino]-3-phenylpropanenitrile has a molecular weight of 260.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylsulfanylcyclopentyl)amino]-3-phenylpropanenitrile is sourced from PubChem (CID 114121615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).