2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile

C13H18N2S — CID 62743330

IUPAC2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile
SMILESCc1ccc(C(C)NC2CCCC2C#N)s1
InChIInChI=1S/C13H18N2S/c1-9-6-7-13(16-9)10(2)15-12-5-3-4-11(12)8-14/h6-7,10-12,15H,3-5H2,1-2H3
InChIKeyLADPUWUIAXLWHZ-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.40
Rot. Bonds3

About 2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile

2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile (PubChem CID 62743330) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile
PubChem CID62743330
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile
SMILESCc1ccc(C(C)NC2CCCC2C#N)s1
InChIInChI=1S/C13H18N2S/c1-9-6-7-13(16-9)10(2)15-12-5-3-4-11(12)8-14/h6-7,10-12,15H,3-5H2,1-2H3
InChIKeyLADPUWUIAXLWHZ-UHFFFAOYSA-N
XLogP3.40
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile 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-[1-(5-chlorothiophen-2-yl)ethylamino]cycloheptane-1-carbonitrile
CID 62742244
trans-(1S,2S)-2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentan-1-ol
CID 102733244
2-(1-thiophen-2-ylethylamino)cycloheptane-1-carbonitrile
CID 62741305
2-[[(1R)-1-thiophen-2-ylethyl]amino]cycloheptane-1-carbonitrile
CID 81408481
2-tert-butyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexan-1-amine
CID 43673911
2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile
CID 63868107
2-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexane-1-carbonitrile
CID 81357000
2-(1-thiophen-3-ylethylamino)cyclopentane-1-carbonitrile
CID 62841523
2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile
CID 62962024
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclopentane-1-carbonitrile
CID 81352755
2-[[(1R)-1-(4-methylphenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81356243
cis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 94580452

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile (CID 62743330) is 2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile is Cc1ccc(C(C)NC2CCCC2C#N)s1.
What is the InChIKey of 2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile?
The InChIKey is LADPUWUIAXLWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-9-6-7-13(16-9)10(2)15-12-5-3-4-11(12)8-14/h6-7,10-12,15H,3-5H2,1-2H3.
What are the key properties of 2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile?
2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile has a molecular weight of 234.37 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 62743330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).