3-sulfanylideneprop-2-enamide

C3H3NOS — CID 18469785

IUPAC3-sulfanylideneprop-2-enamide
SMILESNC(=O)C=C=S
InChIInChI=1S/C3H3NOS/c4-3(5)1-2-6/h1H,(H2,4,5)
InChIKeyCRJZLGIZBXNEJT-UHFFFAOYSA-N
MW101.13 g/mol
LogP-0.37
Rot. Bonds1

About 3-sulfanylideneprop-2-enamide

3-sulfanylideneprop-2-enamide (PubChem CID 18469785) has the molecular formula C3H3NOS and a molecular weight of 101.13 g/mol. Its IUPAC name is 3-sulfanylideneprop-2-enamide.

Molecular Properties

Compound Name3-sulfanylideneprop-2-enamide
PubChem CID18469785
Molecular FormulaC3H3NOS
Molecular Weight101.13 g/mol
Exact Mass100.99
IUPAC Name3-sulfanylideneprop-2-enamide
SMILESNC(=O)C=C=S
InChIInChI=1S/C3H3NOS/c4-3(5)1-2-6/h1H,(H2,4,5)
InChIKeyCRJZLGIZBXNEJT-UHFFFAOYSA-N
XLogP-0.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.13
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-sulfanylideneprop-2-enamide 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 3-sulfanylideneprop-2-enamide?
The IUPAC name of 3-sulfanylideneprop-2-enamide (CID 18469785) is 3-sulfanylideneprop-2-enamide.
What is the SMILES notation for 3-sulfanylideneprop-2-enamide?
The canonical SMILES for 3-sulfanylideneprop-2-enamide is NC(=O)C=C=S.
What is the InChIKey of 3-sulfanylideneprop-2-enamide?
The InChIKey is CRJZLGIZBXNEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NOS/c4-3(5)1-2-6/h1H,(H2,4,5).
What are the key properties of 3-sulfanylideneprop-2-enamide?
3-sulfanylideneprop-2-enamide has a molecular weight of 101.13 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanylideneprop-2-enamide is sourced from PubChem (CID 18469785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).