1-quinoxalin-2-yl-1-sulfanylpropan-2-one

C11H10N2OS — CID 175599702

IUPAC1-quinoxalin-2-yl-1-sulfanylpropan-2-one
SMILESCC(=O)C(S)c1cnc2ccccc2n1
InChIInChI=1S/C11H10N2OS/c1-7(14)11(15)10-6-12-8-4-2-3-5-9(8)13-10/h2-6,11,15H,1H3
InChIKeyZCVSVGWTJTZMFQ-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.19
Rot. Bonds2

About 1-quinoxalin-2-yl-1-sulfanylpropan-2-one

1-quinoxalin-2-yl-1-sulfanylpropan-2-one (PubChem CID 175599702) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-quinoxalin-2-yl-1-sulfanylpropan-2-one.

Molecular Properties

Compound Name1-quinoxalin-2-yl-1-sulfanylpropan-2-one
PubChem CID175599702
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name1-quinoxalin-2-yl-1-sulfanylpropan-2-one
SMILESCC(=O)C(S)c1cnc2ccccc2n1
InChIInChI=1S/C11H10N2OS/c1-7(14)11(15)10-6-12-8-4-2-3-5-9(8)13-10/h2-6,11,15H,1H3
InChIKeyZCVSVGWTJTZMFQ-UHFFFAOYSA-N
XLogP2.19
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-quinoxalin-2-yl-1-sulfanylpropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-quinoxalin-2-ylbutan-2-one
CID 63196763
carbonic acid;quinoxalin-2-amine
CID 174967362
1-quinoxalin-2-ylethyl formate
CID 174662110
N-methyl-1-quinoxalin-2-ylprop-2-en-1-amine
CID 107357254
(1R,2R)-1-quinoxalin-2-ylpropane-1,2,3-triol
CID 102524344
1-quinoxalin-2-yl-4-sulfanylbutane-1,2-diol
CID 171874293
(2,3,4-triacetyloxy-4-quinoxalin-2-ylbutyl) acetate
CID 14887016
N-methyl-2-phenyl-1-quinoxalin-2-ylethanamine
CID 107356897
1-(3,5-dimethylphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107356945
(4-methoxyphenyl)-quinoxalin-2-ylmethanol
CID 107357547
1-(4-fluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107356910
1-quinoxalin-2-ylbut-3-yn-1-ol
CID 86630247

Frequently Asked Questions

What is the IUPAC name of 1-quinoxalin-2-yl-1-sulfanylpropan-2-one?
The IUPAC name of 1-quinoxalin-2-yl-1-sulfanylpropan-2-one (CID 175599702) is 1-quinoxalin-2-yl-1-sulfanylpropan-2-one.
What is the SMILES notation for 1-quinoxalin-2-yl-1-sulfanylpropan-2-one?
The canonical SMILES for 1-quinoxalin-2-yl-1-sulfanylpropan-2-one is CC(=O)C(S)c1cnc2ccccc2n1.
What is the InChIKey of 1-quinoxalin-2-yl-1-sulfanylpropan-2-one?
The InChIKey is ZCVSVGWTJTZMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-7(14)11(15)10-6-12-8-4-2-3-5-9(8)13-10/h2-6,11,15H,1H3.
What are the key properties of 1-quinoxalin-2-yl-1-sulfanylpropan-2-one?
1-quinoxalin-2-yl-1-sulfanylpropan-2-one has a molecular weight of 218.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinoxalin-2-yl-1-sulfanylpropan-2-one is sourced from PubChem (CID 175599702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).