2-(6-chloropyrazin-2-yl)sulfanyl-N-methylacetamide

C7H8ClN3OS — CID 130489953

IUPAC2-(6-chloropyrazin-2-yl)sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1cncc(Cl)n1
InChIInChI=1S/C7H8ClN3OS/c1-9-6(12)4-13-7-3-10-2-5(8)11-7/h2-3H,4H2,1H3,(H,9,12)
InChIKeyIBLIASSCAFIEBQ-UHFFFAOYSA-N
MW217.68 g/mol
LogP0.97
Rot. Bonds3

About 2-(6-chloropyrazin-2-yl)sulfanyl-N-methylacetamide

2-(6-chloropyrazin-2-yl)sulfanyl-N-methylacetamide (PubChem CID 130489953) has the molecular formula C7H8ClN3OS and a molecular weight of 217.68 g/mol. Its IUPAC name is 2-(6-chloropyrazin-2-yl)sulfanyl-N-methylacetamide.

Molecular Properties

Compound Name2-(6-chloropyrazin-2-yl)sulfanyl-N-methylacetamide
PubChem CID130489953
Molecular FormulaC7H8ClN3OS
Molecular Weight217.68 g/mol
Exact Mass217.01
IUPAC Name2-(6-chloropyrazin-2-yl)sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1cncc(Cl)n1
InChIInChI=1S/C7H8ClN3OS/c1-9-6(12)4-13-7-3-10-2-5(8)11-7/h2-3H,4H2,1H3,(H,9,12)
InChIKeyIBLIASSCAFIEBQ-UHFFFAOYSA-N
XLogP0.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.68
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyrazin-2-yl)sulfanyl-N-methylacetamide?
The IUPAC name of 2-(6-chloropyrazin-2-yl)sulfanyl-N-methylacetamide (CID 130489953) is 2-(6-chloropyrazin-2-yl)sulfanyl-N-methylacetamide.
What is the SMILES notation for 2-(6-chloropyrazin-2-yl)sulfanyl-N-methylacetamide?
The canonical SMILES for 2-(6-chloropyrazin-2-yl)sulfanyl-N-methylacetamide is CNC(=O)CSc1cncc(Cl)n1.
What is the InChIKey of 2-(6-chloropyrazin-2-yl)sulfanyl-N-methylacetamide?
The InChIKey is IBLIASSCAFIEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3OS/c1-9-6(12)4-13-7-3-10-2-5(8)11-7/h2-3H,4H2,1H3,(H,9,12).
What are the key properties of 2-(6-chloropyrazin-2-yl)sulfanyl-N-methylacetamide?
2-(6-chloropyrazin-2-yl)sulfanyl-N-methylacetamide has a molecular weight of 217.68 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyrazin-2-yl)sulfanyl-N-methylacetamide is sourced from PubChem (CID 130489953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).