3-cyano-N-cyclopentyl-3-thiophen-2-ylpropanamide

C13H16N2OS — CID 82131202

IUPAC3-cyano-N-cyclopentyl-3-thiophen-2-ylpropanamide
SMILESN#CC(CC(=O)NC1CCCC1)c1cccs1
InChIInChI=1S/C13H16N2OS/c14-9-10(12-6-3-7-17-12)8-13(16)15-11-4-1-2-5-11/h3,6-7,10-11H,1-2,4-5,8H2,(H,15,16)
InChIKeyMSBMHNNMYHMWOA-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.80
Rot. Bonds4

About 3-cyano-N-cyclopentyl-3-thiophen-2-ylpropanamide

3-cyano-N-cyclopentyl-3-thiophen-2-ylpropanamide (PubChem CID 82131202) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-cyano-N-cyclopentyl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-cyano-N-cyclopentyl-3-thiophen-2-ylpropanamide
PubChem CID82131202
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name3-cyano-N-cyclopentyl-3-thiophen-2-ylpropanamide
SMILESN#CC(CC(=O)NC1CCCC1)c1cccs1
InChIInChI=1S/C13H16N2OS/c14-9-10(12-6-3-7-17-12)8-13(16)15-11-4-1-2-5-11/h3,6-7,10-11H,1-2,4-5,8H2,(H,15,16)
InChIKeyMSBMHNNMYHMWOA-UHFFFAOYSA-N
XLogP2.80
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyano-N-cyclopentyl-3-thiophen-2-ylpropanamide 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

N-cyclopentyl-2-(1-thiophen-2-ylpropylamino)acetamide
CID 54964472
N-cyclohexyl-2-(1-thiophen-2-ylethylamino)acetamide
CID 43398121
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
N-cyclohexyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-thiophen-2-ylpropanamide
CID 135006876
3-(cyclooctylamino)-3-thiophen-2-ylpropanoic acid
CID 43727644
N-cyclohexyl-2-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]acetamide;dihydrochloride
CID 71783389
2-(cyclopentylamino)-N-[cyclopentyl(thiophen-2-yl)methyl]acetamide
CID 60847966
N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 4082368
1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 30834300
2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid
CID 115284804
(3R)-3-(carbamoylamino)-N-[(1R,2R)-2-methylcyclohexyl]-3-thiophen-2-ylpropanamide
CID 26026931
N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide
CID 30834974

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-cyclopentyl-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-cyano-N-cyclopentyl-3-thiophen-2-ylpropanamide (CID 82131202) is 3-cyano-N-cyclopentyl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-cyano-N-cyclopentyl-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-cyano-N-cyclopentyl-3-thiophen-2-ylpropanamide is N#CC(CC(=O)NC1CCCC1)c1cccs1.
What is the InChIKey of 3-cyano-N-cyclopentyl-3-thiophen-2-ylpropanamide?
The InChIKey is MSBMHNNMYHMWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c14-9-10(12-6-3-7-17-12)8-13(16)15-11-4-1-2-5-11/h3,6-7,10-11H,1-2,4-5,8H2,(H,15,16).
What are the key properties of 3-cyano-N-cyclopentyl-3-thiophen-2-ylpropanamide?
3-cyano-N-cyclopentyl-3-thiophen-2-ylpropanamide has a molecular weight of 248.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-cyclopentyl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 82131202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).