2-ethylsulfanyl-N-prop-2-ynylacetamide

C7H11NOS — CID 78987183

IUPAC2-ethylsulfanyl-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CSCC
InChIInChI=1S/C7H11NOS/c1-3-5-8-7(9)6-10-4-2/h1H,4-6H2,2H3,(H,8,9)
InChIKeyTUQUVEKQBHYOFA-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.49
Rot. Bonds4

About 2-ethylsulfanyl-N-prop-2-ynylacetamide

2-ethylsulfanyl-N-prop-2-ynylacetamide (PubChem CID 78987183) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-prop-2-ynylacetamide
PubChem CID78987183
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name2-ethylsulfanyl-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CSCC
InChIInChI=1S/C7H11NOS/c1-3-5-8-7(9)6-10-4-2/h1H,4-6H2,2H3,(H,8,9)
InChIKeyTUQUVEKQBHYOFA-UHFFFAOYSA-N
XLogP0.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethylsulfanyl-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-ethylsulfanyl-N-prop-2-ynylacetamide?
The IUPAC name of 2-ethylsulfanyl-N-prop-2-ynylacetamide (CID 78987183) is 2-ethylsulfanyl-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-ethylsulfanyl-N-prop-2-ynylacetamide?
The canonical SMILES for 2-ethylsulfanyl-N-prop-2-ynylacetamide is C#CCNC(=O)CSCC.
What is the InChIKey of 2-ethylsulfanyl-N-prop-2-ynylacetamide?
The InChIKey is TUQUVEKQBHYOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-3-5-8-7(9)6-10-4-2/h1H,4-6H2,2H3,(H,8,9).
What are the key properties of 2-ethylsulfanyl-N-prop-2-ynylacetamide?
2-ethylsulfanyl-N-prop-2-ynylacetamide has a molecular weight of 157.24 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-prop-2-ynylacetamide is sourced from PubChem (CID 78987183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).