1-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentane-1-carboxamide

C11H14N2O3S — CID 60704821

IUPAC1-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NC2C=CS(=O)(=O)C2)CCCC1
InChIInChI=1S/C11H14N2O3S/c12-8-11(4-1-2-5-11)10(14)13-9-3-6-17(15,16)7-9/h3,6,9H,1-2,4-5,7H2,(H,13,14)
InChIKeyKZUKORCZRBHUIH-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.50
Rot. Bonds2

About 1-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentane-1-carboxamide

1-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentane-1-carboxamide (PubChem CID 60704821) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentane-1-carboxamide
PubChem CID60704821
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NC2C=CS(=O)(=O)C2)CCCC1
InChIInChI=1S/C11H14N2O3S/c12-8-11(4-1-2-5-11)10(14)13-9-3-6-17(15,16)7-9/h3,6,9H,1-2,4-5,7H2,(H,13,14)
InChIKeyKZUKORCZRBHUIH-UHFFFAOYSA-N
XLogP0.50
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclobutane-1-carboxamide
CID 81168828
1-cyano-N-cyclooctylcyclopentane-1-carboxamide
CID 29240923
1-cyano-N-(2,2-dimethylcyclopropyl)cyclopentane-1-carboxamide
CID 55031136
1-cyano-N-(2-hydroxycyclohexyl)cyclobutane-1-carboxamide
CID 80592030
1-cyano-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
CID 115671011
1-cyano-N-(1-oxothian-4-yl)cyclohexane-1-carboxamide
CID 115886715
1-cyano-N-(4-methylcyclohexyl)cyclobutane-1-carboxamide
CID 78994982
1-cyano-N-(2-methyloxan-4-yl)cyclohexane-1-carboxamide
CID 113346655
1-cyano-N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]cyclopentane-1-carboxamide
CID 164641465
4-[(1-cyanocyclohexanecarbonyl)amino]benzamide
CID 60581823
1-cyano-N-(2-methylcyclopentyl)cyclobutane-1-carboxamide
CID 78994479
N-[4-(carbamoylamino)phenyl]-1-cyanocyclopentane-1-carboxamide
CID 31812989

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentane-1-carboxamide (CID 60704821) is 1-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentane-1-carboxamide is N#CC1(C(=O)NC2C=CS(=O)(=O)C2)CCCC1.
What is the InChIKey of 1-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentane-1-carboxamide?
The InChIKey is KZUKORCZRBHUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c12-8-11(4-1-2-5-11)10(14)13-9-3-6-17(15,16)7-9/h3,6,9H,1-2,4-5,7H2,(H,13,14).
What are the key properties of 1-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentane-1-carboxamide?
1-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentane-1-carboxamide has a molecular weight of 254.31 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 60704821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).