N-(2-cyanocyclopentyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C14H16N2OS — CID 62962706

IUPACN-(2-cyanocyclopentyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESN#CC1CCCC1NC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C14H16N2OS/c15-8-10-4-1-5-11(10)16-14(17)13-7-9-3-2-6-12(9)18-13/h7,10-11H,1-6H2,(H,16,17)
InChIKeyFLPFDJWRFTZNCP-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.66
Rot. Bonds2

About N-(2-cyanocyclopentyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-(2-cyanocyclopentyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 62962706) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID62962706
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(2-cyanocyclopentyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESN#CC1CCCC1NC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C14H16N2OS/c15-8-10-4-1-5-11(10)16-14(17)13-7-9-3-2-6-12(9)18-13/h7,10-11H,1-6H2,(H,16,17)
InChIKeyFLPFDJWRFTZNCP-UHFFFAOYSA-N
XLogP2.66
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-methylcyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9272819
N-[2-(chloromethyl)cyclopentyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 114179378
N-(2-hydroxycyclohexyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 62366470
N-[(1S,2S)-2-hydroxycyclohexyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 104956682
N-(2-bromocyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 114312122
N-[2-(bromomethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 114179653
N-(2-methylpiperidin-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 114694841
N-(2,6-dimethylcyclohexyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 112817285
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 94867260
N-(3-cyanopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 55209379
N-(3,3-dimethylcyclopentyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 115881776
N-cycloheptyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7996122

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-(2-cyanocyclopentyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 62962706) is N-(2-cyanocyclopentyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(2-cyanocyclopentyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is N#CC1CCCC1NC(=O)c1cc2c(s1)CCC2.
What is the InChIKey of N-(2-cyanocyclopentyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is FLPFDJWRFTZNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c15-8-10-4-1-5-11(10)16-14(17)13-7-9-3-2-6-12(9)18-13/h7,10-11H,1-6H2,(H,16,17).
What are the key properties of N-(2-cyanocyclopentyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-(2-cyanocyclopentyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 62962706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).