2-cyclopentylsulfanyl-N-prop-2-ynylacetamide

C10H15NOS — CID 78908179

IUPAC2-cyclopentylsulfanyl-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CSC1CCCC1
InChIInChI=1S/C10H15NOS/c1-2-7-11-10(12)8-13-9-5-3-4-6-9/h1,9H,3-8H2,(H,11,12)
InChIKeyUFYXSHYLNYWUEO-UHFFFAOYSA-N
MW197.30 g/mol
LogP1.41
Rot. Bonds4

About 2-cyclopentylsulfanyl-N-prop-2-ynylacetamide

2-cyclopentylsulfanyl-N-prop-2-ynylacetamide (PubChem CID 78908179) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-prop-2-ynylacetamide
PubChem CID78908179
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name2-cyclopentylsulfanyl-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CSC1CCCC1
InChIInChI=1S/C10H15NOS/c1-2-7-11-10(12)8-13-9-5-3-4-6-9/h1,9H,3-8H2,(H,11,12)
InChIKeyUFYXSHYLNYWUEO-UHFFFAOYSA-N
XLogP1.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclopentylsulfanyl-N-prop-2-ynylacetamide 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 2-cyclopentylsulfanyl-N-prop-2-ynylacetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-prop-2-ynylacetamide (CID 78908179) is 2-cyclopentylsulfanyl-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-prop-2-ynylacetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-prop-2-ynylacetamide is C#CCNC(=O)CSC1CCCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-prop-2-ynylacetamide?
The InChIKey is UFYXSHYLNYWUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-2-7-11-10(12)8-13-9-5-3-4-6-9/h1,9H,3-8H2,(H,11,12).
What are the key properties of 2-cyclopentylsulfanyl-N-prop-2-ynylacetamide?
2-cyclopentylsulfanyl-N-prop-2-ynylacetamide has a molecular weight of 197.30 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-prop-2-ynylacetamide is sourced from PubChem (CID 78908179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).