methyl 6-methyl-1,1,4-trioxo-2,3-dihydro-1λ6,3-benzothiazine-7-carboxylate

C11H11NO5S — CID 19355146

IUPACmethyl 6-methyl-1,1,4-trioxo-2,3-dihydro-1λ6,3-benzothiazine-7-carboxylate
SMILESCOC(=O)c1cc2c(cc1C)C(=O)NCS2(=O)=O
InChIInChI=1S/C11H11NO5S/c1-6-3-8-9(4-7(6)11(14)17-2)18(15,16)5-12-10(8)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyHBYQGGFZFLMMQV-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.26
Rot. Bonds1

About methyl 6-methyl-1,1,4-trioxo-2,3-dihydro-1λ6,3-benzothiazine-7-carboxylate

methyl 6-methyl-1,1,4-trioxo-2,3-dihydro-1λ6,3-benzothiazine-7-carboxylate (PubChem CID 19355146) has the molecular formula C11H11NO5S and a molecular weight of 269.28 g/mol. Its IUPAC name is methyl 6-methyl-1,1,4-trioxo-2,3-dihydro-1λ6,3-benzothiazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-1,1,4-trioxo-2,3-dihydro-1λ6,3-benzothiazine-7-carboxylate
PubChem CID19355146
Molecular FormulaC11H11NO5S
Molecular Weight269.28 g/mol
Exact Mass269.04
IUPAC Namemethyl 6-methyl-1,1,4-trioxo-2,3-dihydro-1λ6,3-benzothiazine-7-carboxylate
SMILESCOC(=O)c1cc2c(cc1C)C(=O)NCS2(=O)=O
InChIInChI=1S/C11H11NO5S/c1-6-3-8-9(4-7(6)11(14)17-2)18(15,16)5-12-10(8)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyHBYQGGFZFLMMQV-UHFFFAOYSA-N
XLogP0.26
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-methyl-1,1,4-trioxo-2,3-dihydro-1λ6,3-benzothiazine-7-carboxylate with MolForge

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Related Compounds

methyl 6-ethyl-1,1,4-trioxo-2,3-dihydro-1λ6,3-benzothiazine-7-carboxylate
CID 19354987
methyl 5-methyl-1,1-dioxo-2,3-dihydro-1,3-benzothiazole-6-carboxylate
CID 19354789
methyl 3,6-dimethyl-1,1-dioxo-2,4-dihydro-1λ6,3-benzothiazine-7-carboxylate
CID 19354941
methyl 4,6-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-7-carboxylate
CID 19354835
methyl 2,6-dimethyl-1,1-dioxo-2H-thiochromene-7-carboxylate
CID 19354724
methyl 1,1,4-trioxo-2,3-dihydrothiochromene-7-carboxylate
CID 19354747
dimethyl 2-methylbenzene-1,4-dicarboxylate;ethane
CID 143252882
methyl 1,1,3-trioxo-1,2-benzothiazole-6-carboxylate
CID 5062203
methyl 2-(methoxymethyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxylate
CID 141442004
methyl 7-methoxy-1-oxo-3,4-dihydro-2H-isoquinoline-5-carboxylate
CID 66973477
dimethyl 4-(2-chlorophenyl)-6-methylbenzene-1,3-dicarboxylate
CID 174705944
methyl 1,1,2-trioxo-3,4-dihydro-1λ6,4-benzothiazine-5-carboxylate
CID 115095731

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-1,1,4-trioxo-2,3-dihydro-1λ6,3-benzothiazine-7-carboxylate?
The IUPAC name of methyl 6-methyl-1,1,4-trioxo-2,3-dihydro-1λ6,3-benzothiazine-7-carboxylate (CID 19355146) is methyl 6-methyl-1,1,4-trioxo-2,3-dihydro-1λ6,3-benzothiazine-7-carboxylate.
What is the SMILES notation for methyl 6-methyl-1,1,4-trioxo-2,3-dihydro-1λ6,3-benzothiazine-7-carboxylate?
The canonical SMILES for methyl 6-methyl-1,1,4-trioxo-2,3-dihydro-1λ6,3-benzothiazine-7-carboxylate is COC(=O)c1cc2c(cc1C)C(=O)NCS2(=O)=O.
What is the InChIKey of methyl 6-methyl-1,1,4-trioxo-2,3-dihydro-1λ6,3-benzothiazine-7-carboxylate?
The InChIKey is HBYQGGFZFLMMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5S/c1-6-3-8-9(4-7(6)11(14)17-2)18(15,16)5-12-10(8)13/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of methyl 6-methyl-1,1,4-trioxo-2,3-dihydro-1λ6,3-benzothiazine-7-carboxylate?
methyl 6-methyl-1,1,4-trioxo-2,3-dihydro-1λ6,3-benzothiazine-7-carboxylate has a molecular weight of 269.28 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-1,1,4-trioxo-2,3-dihydro-1λ6,3-benzothiazine-7-carboxylate is sourced from PubChem (CID 19355146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).