5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile

C13H18N2S — CID 115675878

IUPAC5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile
SMILESCC(NCc1ccc(C#N)s1)C1CCCC1
InChIInChI=1S/C13H18N2S/c1-10(11-4-2-3-5-11)15-9-13-7-6-12(8-14)16-13/h6-7,10-11,15H,2-5,9H2,1H3
InChIKeyRFTLBJKDVCXCGO-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.29
Rot. Bonds4

About 5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile

5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile (PubChem CID 115675878) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile
PubChem CID115675878
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile
SMILESCC(NCc1ccc(C#N)s1)C1CCCC1
InChIInChI=1S/C13H18N2S/c1-10(11-4-2-3-5-11)15-9-13-7-6-12(8-14)16-13/h6-7,10-11,15H,2-5,9H2,1H3
InChIKeyRFTLBJKDVCXCGO-UHFFFAOYSA-N
XLogP3.29
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(1-cyclopentylethylamino)methyl]thiophene-2-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

5-[(1-cyclopropylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675866
(1S)-1-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 81386418
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine
CID 62632475
5-[(1-cyanopropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 104586907
5-[(2,2-dicyclopropylethylamino)methyl]thiophene-2-carbonitrile
CID 115675957
5-[(3,3-dimethylbutan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675860
5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile
CID 104865123
5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 113250050
5-[(1-cyclobutylethylamino)methyl]thiophene-3-carbonitrile
CID 115768375
2-[5-[[[(1R)-1-cyclohexylethyl]amino]methyl]thiophen-2-yl]acetic acid
CID 82887623
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
2-[[[(1R)-1-cyclopentylethyl]amino]methyl]benzonitrile
CID 114017957

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile (CID 115675878) is 5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile is CC(NCc1ccc(C#N)s1)C1CCCC1.
What is the InChIKey of 5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile?
The InChIKey is RFTLBJKDVCXCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-10(11-4-2-3-5-11)15-9-13-7-6-12(8-14)16-13/h6-7,10-11,15H,2-5,9H2,1H3.
What are the key properties of 5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile?
5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile has a molecular weight of 234.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 115675878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).