methyl 2-[3-(2-methoxy-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetate

C14H14N2O4S2 — CID 946874

IUPACmethyl 2-[3-(2-methoxy-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetate
SMILESCOC(=O)CSc1nc2ccccc2nc1SCC(=O)OC
InChIInChI=1S/C14H14N2O4S2/c1-19-11(17)7-21-13-14(22-8-12(18)20-2)16-10-6-4-3-5-9(10)15-13/h3-6H,7-8H2,1-2H3
InChIKeyYGBRPQKMGCZUCD-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.16
Rot. Bonds6

About methyl 2-[3-(2-methoxy-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetate

methyl 2-[3-(2-methoxy-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetate (PubChem CID 946874) has the molecular formula C14H14N2O4S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is methyl 2-[3-(2-methoxy-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-methoxy-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetate
PubChem CID946874
Molecular FormulaC14H14N2O4S2
Molecular Weight338.41 g/mol
Exact Mass338.04
IUPAC Namemethyl 2-[3-(2-methoxy-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetate
SMILESCOC(=O)CSc1nc2ccccc2nc1SCC(=O)OC
InChIInChI=1S/C14H14N2O4S2/c1-19-11(17)7-21-13-14(22-8-12(18)20-2)16-10-6-4-3-5-9(10)15-13/h3-6H,7-8H2,1-2H3
InChIKeyYGBRPQKMGCZUCD-UHFFFAOYSA-N
XLogP2.16
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-methoxy-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetate?
The IUPAC name of methyl 2-[3-(2-methoxy-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetate (CID 946874) is methyl 2-[3-(2-methoxy-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetate.
What is the SMILES notation for methyl 2-[3-(2-methoxy-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetate?
The canonical SMILES for methyl 2-[3-(2-methoxy-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetate is COC(=O)CSc1nc2ccccc2nc1SCC(=O)OC.
What is the InChIKey of methyl 2-[3-(2-methoxy-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetate?
The InChIKey is YGBRPQKMGCZUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S2/c1-19-11(17)7-21-13-14(22-8-12(18)20-2)16-10-6-4-3-5-9(10)15-13/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl 2-[3-(2-methoxy-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetate?
methyl 2-[3-(2-methoxy-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetate has a molecular weight of 338.41 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-methoxy-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetate is sourced from PubChem (CID 946874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).