3-pyrazin-2-ylsulfanylpropanamide

C7H9N3OS — CID 63381293

IUPAC3-pyrazin-2-ylsulfanylpropanamide
SMILESNC(=O)CCSc1cnccn1
InChIInChI=1S/C7H9N3OS/c8-6(11)1-4-12-7-5-9-2-3-10-7/h2-3,5H,1,4H2,(H2,8,11)
InChIKeyPLYMBXWUUPODJT-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.44
Rot. Bonds4

About 3-pyrazin-2-ylsulfanylpropanamide

3-pyrazin-2-ylsulfanylpropanamide (PubChem CID 63381293) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 3-pyrazin-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name3-pyrazin-2-ylsulfanylpropanamide
PubChem CID63381293
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name3-pyrazin-2-ylsulfanylpropanamide
SMILESNC(=O)CCSc1cnccn1
InChIInChI=1S/C7H9N3OS/c8-6(11)1-4-12-7-5-9-2-3-10-7/h2-3,5H,1,4H2,(H2,8,11)
InChIKeyPLYMBXWUUPODJT-UHFFFAOYSA-N
XLogP0.44
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-pyrazin-2-ylsulfanylpropanamide 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-pyrazin-2-ylsulfanylpropanamide?
The IUPAC name of 3-pyrazin-2-ylsulfanylpropanamide (CID 63381293) is 3-pyrazin-2-ylsulfanylpropanamide.
What is the SMILES notation for 3-pyrazin-2-ylsulfanylpropanamide?
The canonical SMILES for 3-pyrazin-2-ylsulfanylpropanamide is NC(=O)CCSc1cnccn1.
What is the InChIKey of 3-pyrazin-2-ylsulfanylpropanamide?
The InChIKey is PLYMBXWUUPODJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c8-6(11)1-4-12-7-5-9-2-3-10-7/h2-3,5H,1,4H2,(H2,8,11).
What are the key properties of 3-pyrazin-2-ylsulfanylpropanamide?
3-pyrazin-2-ylsulfanylpropanamide has a molecular weight of 183.24 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-ylsulfanylpropanamide is sourced from PubChem (CID 63381293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).