1-cyano-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide

C12H14N2OS — CID 29240888

IUPAC1-cyano-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCc2cccs2)CCCC1
InChIInChI=1S/C12H14N2OS/c13-9-12(5-1-2-6-12)11(15)14-8-10-4-3-7-16-10/h3-4,7H,1-2,5-6,8H2,(H,14,15)
InChIKeyVILVIMLXPBDQLQ-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.45
Rot. Bonds3

About 1-cyano-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide

1-cyano-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 29240888) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-cyano-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide
PubChem CID29240888
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-cyano-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCc2cccs2)CCCC1
InChIInChI=1S/C12H14N2OS/c13-9-12(5-1-2-6-12)11(15)14-8-10-4-3-7-16-10/h3-4,7H,1-2,5-6,8H2,(H,14,15)
InChIKeyVILVIMLXPBDQLQ-UHFFFAOYSA-N
XLogP2.45
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide (CID 29240888) is 1-cyano-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide is N#CC1(C(=O)NCc2cccs2)CCCC1.
What is the InChIKey of 1-cyano-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is VILVIMLXPBDQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c13-9-12(5-1-2-6-12)11(15)14-8-10-4-3-7-16-10/h3-4,7H,1-2,5-6,8H2,(H,14,15).
What are the key properties of 1-cyano-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide?
1-cyano-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 234.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 29240888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).