N-(1-cyanocyclopentyl)-2-(4-cyanophenyl)sulfanylacetamide

C15H15N3OS — CID 51085302

IUPACN-(1-cyanocyclopentyl)-2-(4-cyanophenyl)sulfanylacetamide
SMILESN#Cc1ccc(SCC(=O)NC2(C#N)CCCC2)cc1
InChIInChI=1S/C15H15N3OS/c16-9-12-3-5-13(6-4-12)20-10-14(19)18-15(11-17)7-1-2-8-15/h3-6H,1-2,7-8,10H2,(H,18,19)
InChIKeyBBRSVRJHONFFLF-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.60
Rot. Bonds4

About N-(1-cyanocyclopentyl)-2-(4-cyanophenyl)sulfanylacetamide

N-(1-cyanocyclopentyl)-2-(4-cyanophenyl)sulfanylacetamide (PubChem CID 51085302) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-(4-cyanophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-(4-cyanophenyl)sulfanylacetamide
PubChem CID51085302
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-(1-cyanocyclopentyl)-2-(4-cyanophenyl)sulfanylacetamide
SMILESN#Cc1ccc(SCC(=O)NC2(C#N)CCCC2)cc1
InChIInChI=1S/C15H15N3OS/c16-9-12-3-5-13(6-4-12)20-10-14(19)18-15(11-17)7-1-2-8-15/h3-6H,1-2,7-8,10H2,(H,18,19)
InChIKeyBBRSVRJHONFFLF-UHFFFAOYSA-N
XLogP2.60
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide
CID 47149296
2-(4-cyanoanilino)-N-(1-cyanocyclopentyl)acetamide
CID 26507758
2-(4-amino-3-methylphenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide
CID 79148726
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide
CID 43302044
N-(1-cyanocyclopentyl)-3-(4-cyanophenyl)propanamide
CID 78830549
N-(1-cyanocyclohexyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7468590
2-(2-amino-6-chlorophenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide
CID 43304615
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide
CID 43301358
N-(1-cyanocyclopentyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 43392467
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7597414
N-(1-cyanocyclopentyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6416497
N-(1-cyanocyclopentyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4823077

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-(4-cyanophenyl)sulfanylacetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-(4-cyanophenyl)sulfanylacetamide (CID 51085302) is N-(1-cyanocyclopentyl)-2-(4-cyanophenyl)sulfanylacetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-(4-cyanophenyl)sulfanylacetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-(4-cyanophenyl)sulfanylacetamide is N#Cc1ccc(SCC(=O)NC2(C#N)CCCC2)cc1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-(4-cyanophenyl)sulfanylacetamide?
The InChIKey is BBRSVRJHONFFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c16-9-12-3-5-13(6-4-12)20-10-14(19)18-15(11-17)7-1-2-8-15/h3-6H,1-2,7-8,10H2,(H,18,19).
What are the key properties of N-(1-cyanocyclopentyl)-2-(4-cyanophenyl)sulfanylacetamide?
N-(1-cyanocyclopentyl)-2-(4-cyanophenyl)sulfanylacetamide has a molecular weight of 285.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-(4-cyanophenyl)sulfanylacetamide is sourced from PubChem (CID 51085302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).