N-cyclopentyloxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C13H17NO2S — CID 83206357

IUPACN-cyclopentyloxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(NOC1CCCC1)c1cc2c(s1)CCC2
InChIInChI=1S/C13H17NO2S/c15-13(14-16-10-5-1-2-6-10)12-8-9-4-3-7-11(9)17-12/h8,10H,1-7H2,(H,14,15)
InChIKeyFVHLDUOUMZVVJH-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.84
Rot. Bonds3

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

N-cyclopentyloxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 83206357) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-cyclopentyloxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyloxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID83206357
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC NameN-cyclopentyloxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(NOC1CCCC1)c1cc2c(s1)CCC2
InChIInChI=1S/C13H17NO2S/c15-13(14-16-10-5-1-2-6-10)12-8-9-4-3-7-11(9)17-12/h8,10H,1-7H2,(H,14,15)
InChIKeyFVHLDUOUMZVVJH-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone
CID 114969345
N-cycloheptyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7996122
N-[(1R,2R)-2-methylcyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9272819
N-(3-aminocyclobutyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 43595018
N-[(1S,2S)-2-hydroxycyclohexyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 104956682
N-(2-hydroxycyclohexyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 62366470
N-(2,6-dimethylcyclohexyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 112817285
N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 39903793
N-(2-bromocyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 114312122
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-[2-(bromomethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 114179653
5-bromo-N-cyclopentyloxythiophene-2-carboxamide
CID 83202790

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-cyclopentyloxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 83206357) is N-cyclopentyloxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopentyloxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-cyclopentyloxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is O=C(NOC1CCCC1)c1cc2c(s1)CCC2.
What is the InChIKey of N-cyclopentyloxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is FVHLDUOUMZVVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c15-13(14-16-10-5-1-2-6-10)12-8-9-4-3-7-11(9)17-12/h8,10H,1-7H2,(H,14,15).
What are the key properties of N-cyclopentyloxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-cyclopentyloxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 251.35 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 83206357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).