2-(3-methoxyquinoxalin-2-yl)sulfanylacetamide

C11H11N3O2S — CID 95916143

IUPAC2-(3-methoxyquinoxalin-2-yl)sulfanylacetamide
SMILESCOc1nc2ccccc2nc1SCC(N)=O
InChIInChI=1S/C11H11N3O2S/c1-16-10-11(17-6-9(12)15)14-8-5-3-2-4-7(8)13-10/h2-5H,6H2,1H3,(H2,12,15)
InChIKeyTVWGTYQNGKERSD-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.22
Rot. Bonds4

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

2-(3-methoxyquinoxalin-2-yl)sulfanylacetamide (PubChem CID 95916143) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-(3-methoxyquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(3-methoxyquinoxalin-2-yl)sulfanylacetamide
PubChem CID95916143
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name2-(3-methoxyquinoxalin-2-yl)sulfanylacetamide
SMILESCOc1nc2ccccc2nc1SCC(N)=O
InChIInChI=1S/C11H11N3O2S/c1-16-10-11(17-6-9(12)15)14-8-5-3-2-4-7(8)13-10/h2-5H,6H2,1H3,(H2,12,15)
InChIKeyTVWGTYQNGKERSD-UHFFFAOYSA-N
XLogP1.22
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyanoquinoxalin-2-yl)sulfanylacetamide
CID 171987879
2-methoxy-3-methylsulfanylquinoxaline
CID 119082248
2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 859832
2-(3-benzylquinolin-2-yl)sulfanylacetamide
CID 857980
2-quinolin-2-ylsulfanylacetamide
CID 2056006
N-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 3361602
2-fluoro-3-methoxyquinoxaline
CID 69493695
2-(6-chloro-3-methoxyquinoxalin-2-yl)sulfanyl-2-phenylacetic acid
CID 177056206
2-amino-1-(2-methoxyquinolin-3-yl)ethanone
CID 90036655
2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide
CID 43814889
2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide
CID 938997
2-(1,2-benzoxazol-3-ylsulfanyl)acetamide
CID 54541445

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of 2-(3-methoxyquinoxalin-2-yl)sulfanylacetamide (CID 95916143) is 2-(3-methoxyquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(3-methoxyquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(3-methoxyquinoxalin-2-yl)sulfanylacetamide is COc1nc2ccccc2nc1SCC(N)=O.
What is the InChIKey of 2-(3-methoxyquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is TVWGTYQNGKERSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-16-10-11(17-6-9(12)15)14-8-5-3-2-4-7(8)13-10/h2-5H,6H2,1H3,(H2,12,15).
What are the key properties of 2-(3-methoxyquinoxalin-2-yl)sulfanylacetamide?
2-(3-methoxyquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 249.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 95916143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).