N-(1-cyanocyclopentyl)-2-(2-hydroxyethylsulfanyl)acetamide

C10H16N2O2S — CID 43392467

IUPACN-(1-cyanocyclopentyl)-2-(2-hydroxyethylsulfanyl)acetamide
SMILESN#CC1(NC(=O)CSCCO)CCCC1
InChIInChI=1S/C10H16N2O2S/c11-8-10(3-1-2-4-10)12-9(14)7-15-6-5-13/h13H,1-7H2,(H,12,14)
InChIKeyFHKFTKBEJZXTIN-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.66
Rot. Bonds5

About N-(1-cyanocyclopentyl)-2-(2-hydroxyethylsulfanyl)acetamide

N-(1-cyanocyclopentyl)-2-(2-hydroxyethylsulfanyl)acetamide (PubChem CID 43392467) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-(2-hydroxyethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-(2-hydroxyethylsulfanyl)acetamide
PubChem CID43392467
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-(1-cyanocyclopentyl)-2-(2-hydroxyethylsulfanyl)acetamide
SMILESN#CC1(NC(=O)CSCCO)CCCC1
InChIInChI=1S/C10H16N2O2S/c11-8-10(3-1-2-4-10)12-9(14)7-15-6-5-13/h13H,1-7H2,(H,12,14)
InChIKeyFHKFTKBEJZXTIN-UHFFFAOYSA-N
XLogP0.66
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopropylsulfanyl)-N-(1-cyanocyclopentyl)acetamide
CID 66218066
2-(3-aminobutylsulfanyl)-N-(1-cyanocyclohexyl)acetamide
CID 66232359
N-(1-cyanocyclopentyl)propanamide
CID 55029198
2-(azetidin-3-ylmethylsulfanyl)-N-(1-cyanocyclopentyl)acetamide
CID 66290522
N-(1-cyanocyclooctyl)-3-methylsulfanylpropanamide
CID 60968545
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] N'-aminocarbamimidothioate
CID 77060049
2-bromo-N-(1-cyanocycloheptyl)acetamide
CID 63680243
N-(1-cyanocyclohexyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7468590
[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl] N'-aminocarbamimidothioate
CID 77060805
N-(1-cyanocyclopentyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111538101
2-(azocan-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 2472458
N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide
CID 47149296

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-(2-hydroxyethylsulfanyl)acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-(2-hydroxyethylsulfanyl)acetamide (CID 43392467) is N-(1-cyanocyclopentyl)-2-(2-hydroxyethylsulfanyl)acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-(2-hydroxyethylsulfanyl)acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-(2-hydroxyethylsulfanyl)acetamide is N#CC1(NC(=O)CSCCO)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-(2-hydroxyethylsulfanyl)acetamide?
The InChIKey is FHKFTKBEJZXTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c11-8-10(3-1-2-4-10)12-9(14)7-15-6-5-13/h13H,1-7H2,(H,12,14).
What are the key properties of N-(1-cyanocyclopentyl)-2-(2-hydroxyethylsulfanyl)acetamide?
N-(1-cyanocyclopentyl)-2-(2-hydroxyethylsulfanyl)acetamide has a molecular weight of 228.32 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-(2-hydroxyethylsulfanyl)acetamide is sourced from PubChem (CID 43392467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).