methyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfinylamino]pyrazine-2-carboxylate

C11H13F2N3O5S — CID 143805329

IUPACmethyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfinylamino]pyrazine-2-carboxylate
SMILESCOC(=O)CS(=O)N(CC(F)F)c1nccnc1C(=O)OC
InChIInChI=1S/C11H13F2N3O5S/c1-20-8(17)6-22(19)16(5-7(12)13)10-9(11(18)21-2)14-3-4-15-10/h3-4,7H,5-6H2,1-2H3
InChIKeyZGSPCWUHZRFIEE-UHFFFAOYSA-N
MW337.30 g/mol
LogP0.17
Rot. Bonds7

About methyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfinylamino]pyrazine-2-carboxylate

methyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfinylamino]pyrazine-2-carboxylate (PubChem CID 143805329) has the molecular formula C11H13F2N3O5S and a molecular weight of 337.30 g/mol. Its IUPAC name is methyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfinylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfinylamino]pyrazine-2-carboxylate
PubChem CID143805329
Molecular FormulaC11H13F2N3O5S
Molecular Weight337.30 g/mol
Exact Mass337.05
IUPAC Namemethyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfinylamino]pyrazine-2-carboxylate
SMILESCOC(=O)CS(=O)N(CC(F)F)c1nccnc1C(=O)OC
InChIInChI=1S/C11H13F2N3O5S/c1-20-8(17)6-22(19)16(5-7(12)13)10-9(11(18)21-2)14-3-4-15-10/h3-4,7H,5-6H2,1-2H3
InChIKeyZGSPCWUHZRFIEE-UHFFFAOYSA-N
XLogP0.17
TPSA98.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfinylamino]pyrazine-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfinylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfinylamino]pyrazine-2-carboxylate (CID 143805329) is methyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfinylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfinylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfinylamino]pyrazine-2-carboxylate is COC(=O)CS(=O)N(CC(F)F)c1nccnc1C(=O)OC.
What is the InChIKey of methyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfinylamino]pyrazine-2-carboxylate?
The InChIKey is ZGSPCWUHZRFIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O5S/c1-20-8(17)6-22(19)16(5-7(12)13)10-9(11(18)21-2)14-3-4-15-10/h3-4,7H,5-6H2,1-2H3.
What are the key properties of methyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfinylamino]pyrazine-2-carboxylate?
methyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfinylamino]pyrazine-2-carboxylate has a molecular weight of 337.30 g/mol, XLogP of 0.17, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfinylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 143805329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).