N-methyl-2-pyrazin-2-ylsulfanylpropanamide

C8H11N3OS — CID 130928775

IUPACN-methyl-2-pyrazin-2-ylsulfanylpropanamide
SMILESCNC(=O)C(C)Sc1cnccn1
InChIInChI=1S/C8H11N3OS/c1-6(8(12)9-2)13-7-5-10-3-4-11-7/h3-6H,1-2H3,(H,9,12)
InChIKeyLLNDMVKIYITBSY-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.70
Rot. Bonds3

About N-methyl-2-pyrazin-2-ylsulfanylpropanamide

N-methyl-2-pyrazin-2-ylsulfanylpropanamide (PubChem CID 130928775) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is N-methyl-2-pyrazin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-methyl-2-pyrazin-2-ylsulfanylpropanamide
PubChem CID130928775
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC NameN-methyl-2-pyrazin-2-ylsulfanylpropanamide
SMILESCNC(=O)C(C)Sc1cnccn1
InChIInChI=1S/C8H11N3OS/c1-6(8(12)9-2)13-7-5-10-3-4-11-7/h3-6H,1-2H3,(H,9,12)
InChIKeyLLNDMVKIYITBSY-UHFFFAOYSA-N
XLogP0.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyrazin-2-ylsulfanylpropanamide?
The IUPAC name of N-methyl-2-pyrazin-2-ylsulfanylpropanamide (CID 130928775) is N-methyl-2-pyrazin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-methyl-2-pyrazin-2-ylsulfanylpropanamide?
The canonical SMILES for N-methyl-2-pyrazin-2-ylsulfanylpropanamide is CNC(=O)C(C)Sc1cnccn1.
What is the InChIKey of N-methyl-2-pyrazin-2-ylsulfanylpropanamide?
The InChIKey is LLNDMVKIYITBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-6(8(12)9-2)13-7-5-10-3-4-11-7/h3-6H,1-2H3,(H,9,12).
What are the key properties of N-methyl-2-pyrazin-2-ylsulfanylpropanamide?
N-methyl-2-pyrazin-2-ylsulfanylpropanamide has a molecular weight of 197.26 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyrazin-2-ylsulfanylpropanamide is sourced from PubChem (CID 130928775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).