N-(2-cyanocyclopentyl)-3-methylthiophene-2-carboxamide

C12H14N2OS — CID 62963070

IUPACN-(2-cyanocyclopentyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC1CCCC1C#N
InChIInChI=1S/C12H14N2OS/c1-8-5-6-16-11(8)12(15)14-10-4-2-3-9(10)7-13/h5-6,9-10H,2-4H2,1H3,(H,14,15)
InChIKeyQHGCDEWKGQSHIQ-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.48
Rot. Bonds2

About N-(2-cyanocyclopentyl)-3-methylthiophene-2-carboxamide

N-(2-cyanocyclopentyl)-3-methylthiophene-2-carboxamide (PubChem CID 62963070) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)-3-methylthiophene-2-carboxamide
PubChem CID62963070
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC NameN-(2-cyanocyclopentyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC1CCCC1C#N
InChIInChI=1S/C12H14N2OS/c1-8-5-6-16-11(8)12(15)14-10-4-2-3-9(10)7-13/h5-6,9-10H,2-4H2,1H3,(H,14,15)
InChIKeyQHGCDEWKGQSHIQ-UHFFFAOYSA-N
XLogP2.48
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-methylcyclohexyl)thiophene-2-carboxamide
CID 25162656
N-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide
CID 106366771
cis-(1R,2S)-2-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161349
N-(2-aminocyclohexyl)-3-methylthiophene-2-carboxamide;hydrochloride
CID 71638238
N-(2-cyanocyclopentyl)-4-hydroxy-3-methylbenzamide
CID 113358590
N-(2-cyanocyclopentyl)-3-hydroxy-4-methylbenzamide
CID 62962345
N-(2-cyanocyclopentyl)-5-methylfuran-2-carboxamide
CID 62961798
4-bromo-N-(2-cyanocyclopentyl)-3-methylbenzamide
CID 113339251
N-(2-cyanocyclopentyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 79605102
3-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-2-carboxamide
CID 140519163
N-(2-cyanocyclopentyl)-2,6-dimethoxybenzamide
CID 62960890
3-methyl-N-[(2R,3R)-2-(4-methylphenyl)oxan-3-yl]thiophene-2-carboxamide
CID 95964683

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-cyanocyclopentyl)-3-methylthiophene-2-carboxamide (CID 62963070) is N-(2-cyanocyclopentyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-cyanocyclopentyl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NC1CCCC1C#N.
What is the InChIKey of N-(2-cyanocyclopentyl)-3-methylthiophene-2-carboxamide?
The InChIKey is QHGCDEWKGQSHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-8-5-6-16-11(8)12(15)14-10-4-2-3-9(10)7-13/h5-6,9-10H,2-4H2,1H3,(H,14,15).
What are the key properties of N-(2-cyanocyclopentyl)-3-methylthiophene-2-carboxamide?
N-(2-cyanocyclopentyl)-3-methylthiophene-2-carboxamide has a molecular weight of 234.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 62963070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).