N-(1-cyanocyclopentyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide

C14H18N4OS — CID 17456418

IUPACN-(1-cyanocyclopentyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
SMILESN#CC1(NC(=O)CSc2nccn2C2CC2)CCCC1
InChIInChI=1S/C14H18N4OS/c15-10-14(5-1-2-6-14)17-12(19)9-20-13-16-7-8-18(13)11-3-4-11/h7-8,11H,1-6,9H2,(H,17,19)
InChIKeyOUYBKCLOCIUSRI-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.26
Rot. Bonds5

About N-(1-cyanocyclopentyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide

N-(1-cyanocyclopentyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide (PubChem CID 17456418) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
PubChem CID17456418
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-(1-cyanocyclopentyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
SMILESN#CC1(NC(=O)CSc2nccn2C2CC2)CCCC1
InChIInChI=1S/C14H18N4OS/c15-10-14(5-1-2-6-14)17-12(19)9-20-13-16-7-8-18(13)11-3-4-11/h7-8,11H,1-6,9H2,(H,17,19)
InChIKeyOUYBKCLOCIUSRI-UHFFFAOYSA-N
XLogP2.26
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-cyanocyclopentyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide (CID 17456418) is N-(1-cyanocyclopentyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide is N#CC1(NC(=O)CSc2nccn2C2CC2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide?
The InChIKey is OUYBKCLOCIUSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c15-10-14(5-1-2-6-14)17-12(19)9-20-13-16-7-8-18(13)11-3-4-11/h7-8,11H,1-6,9H2,(H,17,19).
What are the key properties of N-(1-cyanocyclopentyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide?
N-(1-cyanocyclopentyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide has a molecular weight of 290.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 17456418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).