methyl 6-(2-methoxy-2-oxoethyl)sulfanylpyrazine-2-carboxylate

C9H10N2O4S — CID 66449010

IUPACmethyl 6-(2-methoxy-2-oxoethyl)sulfanylpyrazine-2-carboxylate
SMILESCOC(=O)CSc1cncc(C(=O)OC)n1
InChIInChI=1S/C9H10N2O4S/c1-14-8(12)5-16-7-4-10-3-6(11-7)9(13)15-2/h3-4H,5H2,1-2H3
InChIKeyLULDCYWRFLKOPW-UHFFFAOYSA-N
MW242.26 g/mol
LogP0.53
Rot. Bonds4

About methyl 6-(2-methoxy-2-oxoethyl)sulfanylpyrazine-2-carboxylate

methyl 6-(2-methoxy-2-oxoethyl)sulfanylpyrazine-2-carboxylate (PubChem CID 66449010) has the molecular formula C9H10N2O4S and a molecular weight of 242.26 g/mol. Its IUPAC name is methyl 6-(2-methoxy-2-oxoethyl)sulfanylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-methoxy-2-oxoethyl)sulfanylpyrazine-2-carboxylate
PubChem CID66449010
Molecular FormulaC9H10N2O4S
Molecular Weight242.26 g/mol
Exact Mass242.04
IUPAC Namemethyl 6-(2-methoxy-2-oxoethyl)sulfanylpyrazine-2-carboxylate
SMILESCOC(=O)CSc1cncc(C(=O)OC)n1
InChIInChI=1S/C9H10N2O4S/c1-14-8(12)5-16-7-4-10-3-6(11-7)9(13)15-2/h3-4H,5H2,1-2H3
InChIKeyLULDCYWRFLKOPW-UHFFFAOYSA-N
XLogP0.53
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Dimethyl pyrazine-2,5-dicarboxylate
CID 518685
6-(Ethylsulfanyl)pyrazine-2-carboxylic acid
CID 818289
6-(Methylsulfanyl)pyrazine-2-carboxylic acid
CID 66451366
Diethyl pyrazine-2,5-dicarboxylate
CID 13692208
Methyl 5-fluorosulfanylpyrazine-2-carboxylate
CID 145023132
Methyl 6-fluorosulfanylpyrazine-2-carboxylate
CID 145023173
Methyl 3-(trifluoromethylthio)pyrazine-2-carboxylate
CID 75530215
Methyl 6-(fluorosulfonyl)pyrazine-2-carboxylate
CID 132353906
Methyl 5-(hydroxymethyl)-6-(2,2,2-trifluoroethylsulfanyl)pyrazine-2-carboxylate
CID 132515893
Methyl 6-(2,2,2-trifluoroethylsulfinyl)pyrazine-2-carboxylate
CID 132515894
Methyl 6-(2,2,2-trifluoroethylsulfanyl)pyrazine-2-carboxylate
CID 132515896
Methyl 6-(trimethylstannyl)-2-pyrazinecarboxylate
CID 11255058

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-methoxy-2-oxoethyl)sulfanylpyrazine-2-carboxylate?
The IUPAC name of methyl 6-(2-methoxy-2-oxoethyl)sulfanylpyrazine-2-carboxylate (CID 66449010) is methyl 6-(2-methoxy-2-oxoethyl)sulfanylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(2-methoxy-2-oxoethyl)sulfanylpyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(2-methoxy-2-oxoethyl)sulfanylpyrazine-2-carboxylate is COC(=O)CSc1cncc(C(=O)OC)n1.
What is the InChIKey of methyl 6-(2-methoxy-2-oxoethyl)sulfanylpyrazine-2-carboxylate?
The InChIKey is LULDCYWRFLKOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S/c1-14-8(12)5-16-7-4-10-3-6(11-7)9(13)15-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 6-(2-methoxy-2-oxoethyl)sulfanylpyrazine-2-carboxylate?
methyl 6-(2-methoxy-2-oxoethyl)sulfanylpyrazine-2-carboxylate has a molecular weight of 242.26 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-methoxy-2-oxoethyl)sulfanylpyrazine-2-carboxylate is sourced from PubChem (CID 66449010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).