2-[cyclopentyl(2-ethylsulfanylethyl)amino]acetonitrile

C11H20N2S — CID 115647788

IUPAC2-[cyclopentyl(2-ethylsulfanylethyl)amino]acetonitrile
SMILESCCSCCN(CC#N)C1CCCC1
InChIInChI=1S/C11H20N2S/c1-2-14-10-9-13(8-7-12)11-5-3-4-6-11/h11H,2-6,8-10H2,1H3
InChIKeyUJVYTHDWNQFDFY-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.51
Rot. Bonds6

About 2-[cyclopentyl(2-ethylsulfanylethyl)amino]acetonitrile

2-[cyclopentyl(2-ethylsulfanylethyl)amino]acetonitrile (PubChem CID 115647788) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-[cyclopentyl(2-ethylsulfanylethyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[cyclopentyl(2-ethylsulfanylethyl)amino]acetonitrile
PubChem CID115647788
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2-[cyclopentyl(2-ethylsulfanylethyl)amino]acetonitrile
SMILESCCSCCN(CC#N)C1CCCC1
InChIInChI=1S/C11H20N2S/c1-2-14-10-9-13(8-7-12)11-5-3-4-6-11/h11H,2-6,8-10H2,1H3
InChIKeyUJVYTHDWNQFDFY-UHFFFAOYSA-N
XLogP2.51
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-[cyclopentyl(2-ethylsulfanylethyl)amino]acetonitrile 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

2-[cyclopentyl(pentyl)amino]acetonitrile
CID 62048934
3-[cyclopropyl(3-ethylsulfanylpropyl)amino]propanenitrile
CID 115666797
2-[but-2-enyl(cyclopentyl)amino]acetonitrile
CID 77037861
3-[cyanomethyl(cycloheptyl)amino]propanoic acid
CID 82328498
2-[cyclopentyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetonitrile
CID 103766604
2-[cyanomethyl(cyclopentyl)amino]acetic acid
CID 60833018
N,N-dipropylcyclodecanamine
CID 139723962
2-[cyclopentyl-[(3-methoxycyclobutyl)methyl]amino]acetonitrile
CID 154734043
2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]acetonitrile
CID 79903017
2-[di(cyclobutyl)amino]acetonitrile
CID 131203762
2-[cyclopropyl(2-methylpropyl)amino]acetonitrile
CID 60751428
2-[cyclopentyl-[(2-methylphenyl)methyl]amino]acetonitrile
CID 62048389

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(2-ethylsulfanylethyl)amino]acetonitrile?
The IUPAC name of 2-[cyclopentyl(2-ethylsulfanylethyl)amino]acetonitrile (CID 115647788) is 2-[cyclopentyl(2-ethylsulfanylethyl)amino]acetonitrile.
What is the SMILES notation for 2-[cyclopentyl(2-ethylsulfanylethyl)amino]acetonitrile?
The canonical SMILES for 2-[cyclopentyl(2-ethylsulfanylethyl)amino]acetonitrile is CCSCCN(CC#N)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(2-ethylsulfanylethyl)amino]acetonitrile?
The InChIKey is UJVYTHDWNQFDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-2-14-10-9-13(8-7-12)11-5-3-4-6-11/h11H,2-6,8-10H2,1H3.
What are the key properties of 2-[cyclopentyl(2-ethylsulfanylethyl)amino]acetonitrile?
2-[cyclopentyl(2-ethylsulfanylethyl)amino]acetonitrile has a molecular weight of 212.36 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(2-ethylsulfanylethyl)amino]acetonitrile is sourced from PubChem (CID 115647788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).