1-cyano-N-(1-thiophen-3-ylethyl)cyclopentane-1-carboxamide

C13H16N2OS — CID 62842994

IUPAC1-cyano-N-(1-thiophen-3-ylethyl)cyclopentane-1-carboxamide
SMILESCC(NC(=O)C1(C#N)CCCC1)c1ccsc1
InChIInChI=1S/C13H16N2OS/c1-10(11-4-7-17-8-11)15-12(16)13(9-14)5-2-3-6-13/h4,7-8,10H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyZSDFPKINMLVOER-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.01
Rot. Bonds3

About 1-cyano-N-(1-thiophen-3-ylethyl)cyclopentane-1-carboxamide

1-cyano-N-(1-thiophen-3-ylethyl)cyclopentane-1-carboxamide (PubChem CID 62842994) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-cyano-N-(1-thiophen-3-ylethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1-thiophen-3-ylethyl)cyclopentane-1-carboxamide
PubChem CID62842994
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-cyano-N-(1-thiophen-3-ylethyl)cyclopentane-1-carboxamide
SMILESCC(NC(=O)C1(C#N)CCCC1)c1ccsc1
InChIInChI=1S/C13H16N2OS/c1-10(11-4-7-17-8-11)15-12(16)13(9-14)5-2-3-6-13/h4,7-8,10H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyZSDFPKINMLVOER-UHFFFAOYSA-N
XLogP3.01
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1-thiophen-3-ylethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1-thiophen-3-ylethyl)cyclopentane-1-carboxamide (CID 62842994) is 1-cyano-N-(1-thiophen-3-ylethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1-thiophen-3-ylethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1-thiophen-3-ylethyl)cyclopentane-1-carboxamide is CC(NC(=O)C1(C#N)CCCC1)c1ccsc1.
What is the InChIKey of 1-cyano-N-(1-thiophen-3-ylethyl)cyclopentane-1-carboxamide?
The InChIKey is ZSDFPKINMLVOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10(11-4-7-17-8-11)15-12(16)13(9-14)5-2-3-6-13/h4,7-8,10H,2-3,5-6H2,1H3,(H,15,16).
What are the key properties of 1-cyano-N-(1-thiophen-3-ylethyl)cyclopentane-1-carboxamide?
1-cyano-N-(1-thiophen-3-ylethyl)cyclopentane-1-carboxamide has a molecular weight of 248.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1-thiophen-3-ylethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 62842994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).