methyl 2-(2-methoxy-2-oxoethyl)sulfonylthieno[2,3-d]pyrimidine-6-carboxylate

C11H10N2O6S2 — CID 121414079

IUPACmethyl 2-(2-methoxy-2-oxoethyl)sulfonylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)CS(=O)(=O)c1ncc2cc(C(=O)OC)sc2n1
InChIInChI=1S/C11H10N2O6S2/c1-18-8(14)5-21(16,17)11-12-4-6-3-7(10(15)19-2)20-9(6)13-11/h3-4H,5H2,1-2H3
InChIKeyHLTNCMXLOFLROZ-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.42
Rot. Bonds4

About methyl 2-(2-methoxy-2-oxoethyl)sulfonylthieno[2,3-d]pyrimidine-6-carboxylate

methyl 2-(2-methoxy-2-oxoethyl)sulfonylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 121414079) has the molecular formula C11H10N2O6S2 and a molecular weight of 330.34 g/mol. Its IUPAC name is methyl 2-(2-methoxy-2-oxoethyl)sulfonylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methoxy-2-oxoethyl)sulfonylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID121414079
Molecular FormulaC11H10N2O6S2
Molecular Weight330.34 g/mol
Exact Mass330.00
IUPAC Namemethyl 2-(2-methoxy-2-oxoethyl)sulfonylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)CS(=O)(=O)c1ncc2cc(C(=O)OC)sc2n1
InChIInChI=1S/C11H10N2O6S2/c1-18-8(14)5-21(16,17)11-12-4-6-3-7(10(15)19-2)20-9(6)13-11/h3-4H,5H2,1-2H3
InChIKeyHLTNCMXLOFLROZ-UHFFFAOYSA-N
XLogP0.42
TPSA112.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxy-2-oxoethyl)sulfonylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 2-(2-methoxy-2-oxoethyl)sulfonylthieno[2,3-d]pyrimidine-6-carboxylate (CID 121414079) is methyl 2-(2-methoxy-2-oxoethyl)sulfonylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 2-(2-methoxy-2-oxoethyl)sulfonylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 2-(2-methoxy-2-oxoethyl)sulfonylthieno[2,3-d]pyrimidine-6-carboxylate is COC(=O)CS(=O)(=O)c1ncc2cc(C(=O)OC)sc2n1.
What is the InChIKey of methyl 2-(2-methoxy-2-oxoethyl)sulfonylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is HLTNCMXLOFLROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O6S2/c1-18-8(14)5-21(16,17)11-12-4-6-3-7(10(15)19-2)20-9(6)13-11/h3-4H,5H2,1-2H3.
What are the key properties of methyl 2-(2-methoxy-2-oxoethyl)sulfonylthieno[2,3-d]pyrimidine-6-carboxylate?
methyl 2-(2-methoxy-2-oxoethyl)sulfonylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 330.34 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxy-2-oxoethyl)sulfonylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 121414079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).