2-[3-(2-amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide

C12H12N4O2S2 — CID 612552

IUPAC2-[3-(2-amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide
SMILESNC(=O)CSc1nc2ccccc2nc1SCC(N)=O
InChIInChI=1S/C12H12N4O2S2/c13-9(17)5-19-11-12(20-6-10(14)18)16-8-4-2-1-3-7(8)15-11/h1-4H,5-6H2,(H2,13,17)(H2,14,18)
InChIKeyIJIUCYWOTJRKIC-UHFFFAOYSA-N
MW308.39 g/mol
LogP0.78
Rot. Bonds6

About 2-[3-(2-amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide

2-[3-(2-amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide (PubChem CID 612552) has the molecular formula C12H12N4O2S2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-[3-(2-amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[3-(2-amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide
PubChem CID612552
Molecular FormulaC12H12N4O2S2
Molecular Weight308.39 g/mol
Exact Mass308.04
IUPAC Name2-[3-(2-amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide
SMILESNC(=O)CSc1nc2ccccc2nc1SCC(N)=O
InChIInChI=1S/C12H12N4O2S2/c13-9(17)5-19-11-12(20-6-10(14)18)16-8-4-2-1-3-7(8)15-11/h1-4H,5-6H2,(H2,13,17)(H2,14,18)
InChIKeyIJIUCYWOTJRKIC-UHFFFAOYSA-N
XLogP0.78
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide?
The IUPAC name of 2-[3-(2-amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide (CID 612552) is 2-[3-(2-amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[3-(2-amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[3-(2-amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide is NC(=O)CSc1nc2ccccc2nc1SCC(N)=O.
What is the InChIKey of 2-[3-(2-amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide?
The InChIKey is IJIUCYWOTJRKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S2/c13-9(17)5-19-11-12(20-6-10(14)18)16-8-4-2-1-3-7(8)15-11/h1-4H,5-6H2,(H2,13,17)(H2,14,18).
What are the key properties of 2-[3-(2-amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide?
2-[3-(2-amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide has a molecular weight of 308.39 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide is sourced from PubChem (CID 612552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).