N-(2-cyanoethyl)-N-methyl-3-pyrazin-2-ylsulfanylpropanamide

C11H14N4OS — CID 63381136

IUPACN-(2-cyanoethyl)-N-methyl-3-pyrazin-2-ylsulfanylpropanamide
SMILESCN(CCC#N)C(=O)CCSc1cnccn1
InChIInChI=1S/C11H14N4OS/c1-15(7-2-4-12)11(16)3-8-17-10-9-13-5-6-14-10/h5-6,9H,2-3,7-8H2,1H3
InChIKeyIUZSENBMUUFLBX-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.33
Rot. Bonds6

About N-(2-cyanoethyl)-N-methyl-3-pyrazin-2-ylsulfanylpropanamide

N-(2-cyanoethyl)-N-methyl-3-pyrazin-2-ylsulfanylpropanamide (PubChem CID 63381136) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-3-pyrazin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-3-pyrazin-2-ylsulfanylpropanamide
PubChem CID63381136
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC NameN-(2-cyanoethyl)-N-methyl-3-pyrazin-2-ylsulfanylpropanamide
SMILESCN(CCC#N)C(=O)CCSc1cnccn1
InChIInChI=1S/C11H14N4OS/c1-15(7-2-4-12)11(16)3-8-17-10-9-13-5-6-14-10/h5-6,9H,2-3,7-8H2,1H3
InChIKeyIUZSENBMUUFLBX-UHFFFAOYSA-N
XLogP1.33
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2-cyanoethyl)-N-methyl-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 N-(2-cyanoethyl)-N-methyl-3-pyrazin-2-ylsulfanylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-3-pyrazin-2-ylsulfanylpropanamide (CID 63381136) is N-(2-cyanoethyl)-N-methyl-3-pyrazin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-3-pyrazin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-3-pyrazin-2-ylsulfanylpropanamide is CN(CCC#N)C(=O)CCSc1cnccn1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-3-pyrazin-2-ylsulfanylpropanamide?
The InChIKey is IUZSENBMUUFLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-15(7-2-4-12)11(16)3-8-17-10-9-13-5-6-14-10/h5-6,9H,2-3,7-8H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-3-pyrazin-2-ylsulfanylpropanamide?
N-(2-cyanoethyl)-N-methyl-3-pyrazin-2-ylsulfanylpropanamide has a molecular weight of 250.33 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-3-pyrazin-2-ylsulfanylpropanamide is sourced from PubChem (CID 63381136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).