dimethyl (3R)-3,5-dimethyl-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate

C12H15NO6S — CID 11301067

IUPACdimethyl (3R)-3,5-dimethyl-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2n(c1C)[C@@H](C)S(=O)(=O)C2
InChIInChI=1S/C12H15NO6S/c1-6-9(11(14)18-3)10(12(15)19-4)8-5-20(16,17)7(2)13(6)8/h7H,5H2,1-4H3/t7-/m1/s1
InChIKeyJGWFIXOJJIGPFG-SSDOTTSWSA-N
MW301.32 g/mol
LogP0.82
Rot. Bonds2

About dimethyl (3R)-3,5-dimethyl-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate

dimethyl (3R)-3,5-dimethyl-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate (PubChem CID 11301067) has the molecular formula C12H15NO6S and a molecular weight of 301.32 g/mol. Its IUPAC name is dimethyl (3R)-3,5-dimethyl-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3R)-3,5-dimethyl-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
PubChem CID11301067
Molecular FormulaC12H15NO6S
Molecular Weight301.32 g/mol
Exact Mass301.06
IUPAC Namedimethyl (3R)-3,5-dimethyl-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2n(c1C)[C@@H](C)S(=O)(=O)C2
InChIInChI=1S/C12H15NO6S/c1-6-9(11(14)18-3)10(12(15)19-4)8-5-20(16,17)7(2)13(6)8/h7H,5H2,1-4H3/t7-/m1/s1
InChIKeyJGWFIXOJJIGPFG-SSDOTTSWSA-N
XLogP0.82
TPSA91.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl (3R)-3,5-dimethyl-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
The IUPAC name of dimethyl (3R)-3,5-dimethyl-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate (CID 11301067) is dimethyl (3R)-3,5-dimethyl-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate.
What is the SMILES notation for dimethyl (3R)-3,5-dimethyl-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
The canonical SMILES for dimethyl (3R)-3,5-dimethyl-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate is COC(=O)c1c(C(=O)OC)c2n(c1C)[C@@H](C)S(=O)(=O)C2.
What is the InChIKey of dimethyl (3R)-3,5-dimethyl-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
The InChIKey is JGWFIXOJJIGPFG-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H15NO6S/c1-6-9(11(14)18-3)10(12(15)19-4)8-5-20(16,17)7(2)13(6)8/h7H,5H2,1-4H3/t7-/m1/s1.
What are the key properties of dimethyl (3R)-3,5-dimethyl-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
dimethyl (3R)-3,5-dimethyl-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate has a molecular weight of 301.32 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3R)-3,5-dimethyl-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate is sourced from PubChem (CID 11301067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).