2-(3-cyanoquinoxalin-2-yl)sulfanylacetamide

C11H8N4OS — CID 171987879

IUPAC2-(3-cyanoquinoxalin-2-yl)sulfanylacetamide
SMILESN#Cc1nc2ccccc2nc1SCC(N)=O
InChIInChI=1S/C11H8N4OS/c12-5-9-11(17-6-10(13)16)15-8-4-2-1-3-7(8)14-9/h1-4H,6H2,(H2,13,16)
InChIKeyJTBXBWQCFPNDPK-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.08
Rot. Bonds3

About 2-(3-cyanoquinoxalin-2-yl)sulfanylacetamide

2-(3-cyanoquinoxalin-2-yl)sulfanylacetamide (PubChem CID 171987879) has the molecular formula C11H8N4OS and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-(3-cyanoquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(3-cyanoquinoxalin-2-yl)sulfanylacetamide
PubChem CID171987879
Molecular FormulaC11H8N4OS
Molecular Weight244.28 g/mol
Exact Mass244.04
IUPAC Name2-(3-cyanoquinoxalin-2-yl)sulfanylacetamide
SMILESN#Cc1nc2ccccc2nc1SCC(N)=O
InChIInChI=1S/C11H8N4OS/c12-5-9-11(17-6-10(13)16)15-8-4-2-1-3-7(8)14-9/h1-4H,6H2,(H2,13,16)
InChIKeyJTBXBWQCFPNDPK-UHFFFAOYSA-N
XLogP1.08
TPSA92.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of 2-(3-cyanoquinoxalin-2-yl)sulfanylacetamide (CID 171987879) is 2-(3-cyanoquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(3-cyanoquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(3-cyanoquinoxalin-2-yl)sulfanylacetamide is N#Cc1nc2ccccc2nc1SCC(N)=O.
What is the InChIKey of 2-(3-cyanoquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is JTBXBWQCFPNDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS/c12-5-9-11(17-6-10(13)16)15-8-4-2-1-3-7(8)14-9/h1-4H,6H2,(H2,13,16).
What are the key properties of 2-(3-cyanoquinoxalin-2-yl)sulfanylacetamide?
2-(3-cyanoquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 244.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 171987879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).