N-(1-cyanocyclopentyl)-2-(thian-4-yl)acetamide

C13H20N2OS — CID 80709497

IUPACN-(1-cyanocyclopentyl)-2-(thian-4-yl)acetamide
SMILESN#CC1(NC(=O)CC2CCSCC2)CCCC1
InChIInChI=1S/C13H20N2OS/c14-10-13(5-1-2-6-13)15-12(16)9-11-3-7-17-8-4-11/h11H,1-9H2,(H,15,16)
InChIKeyVGQMIHPIENYASR-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.47
Rot. Bonds3

About N-(1-cyanocyclopentyl)-2-(thian-4-yl)acetamide

N-(1-cyanocyclopentyl)-2-(thian-4-yl)acetamide (PubChem CID 80709497) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-(thian-4-yl)acetamide
PubChem CID80709497
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-(1-cyanocyclopentyl)-2-(thian-4-yl)acetamide
SMILESN#CC1(NC(=O)CC2CCSCC2)CCCC1
InChIInChI=1S/C13H20N2OS/c14-10-13(5-1-2-6-13)15-12(16)9-11-3-7-17-8-4-11/h11H,1-9H2,(H,15,16)
InChIKeyVGQMIHPIENYASR-UHFFFAOYSA-N
XLogP2.47
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclopentyl]-2-(thian-4-yl)acetamide
CID 83135530
N-(1-cyano-4-methylcyclohexyl)-2-cyclohexylacetamide
CID 61121520
N-[1-(hydroxymethyl)cyclobutyl]-2-(thian-4-yl)acetamide
CID 115878099
N-(1-cyanocyclopentyl)propanamide
CID 55029198
2-bromo-N-(1-cyanocycloheptyl)acetamide
CID 63680243
N-(1-cyanocyclopentyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111538101
N-(1-cyanocyclooctyl)-3-methylsulfanylpropanamide
CID 60968545
1-cyano-N-(thian-4-ylmethyl)cyclobutane-1-carboxamide
CID 115635699
1-(1-cyanocyclooctyl)-3-cyclopropylurea
CID 62698920
1-(1-cyanocyclohexyl)-3-cyclopropylurea
CID 55209173
4-[(1-cyanocyclohexyl)amino]-4-oxobutanoic acid
CID 82287344
N-(1-cyanocyclopentyl)-2-methoxyacetamide
CID 60724698

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-(thian-4-yl)acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-(thian-4-yl)acetamide (CID 80709497) is N-(1-cyanocyclopentyl)-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-(thian-4-yl)acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-(thian-4-yl)acetamide is N#CC1(NC(=O)CC2CCSCC2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-(thian-4-yl)acetamide?
The InChIKey is VGQMIHPIENYASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c14-10-13(5-1-2-6-13)15-12(16)9-11-3-7-17-8-4-11/h11H,1-9H2,(H,15,16).
What are the key properties of N-(1-cyanocyclopentyl)-2-(thian-4-yl)acetamide?
N-(1-cyanocyclopentyl)-2-(thian-4-yl)acetamide has a molecular weight of 252.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-(thian-4-yl)acetamide is sourced from PubChem (CID 80709497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).