methyl 5-methyl-1,1-dioxo-2,3-dihydro-1,3-benzothiazole-6-carboxylate

C10H11NO4S — CID 19354789

IUPACmethyl 5-methyl-1,1-dioxo-2,3-dihydro-1,3-benzothiazole-6-carboxylate
SMILESCOC(=O)c1cc2c(cc1C)NCS2(=O)=O
InChIInChI=1S/C10H11NO4S/c1-6-3-8-9(16(13,14)5-11-8)4-7(6)10(12)15-2/h3-4,11H,5H2,1-2H3
InChIKeyCDPTYGWKNCJKGP-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.94
Rot. Bonds1

About methyl 5-methyl-1,1-dioxo-2,3-dihydro-1,3-benzothiazole-6-carboxylate

methyl 5-methyl-1,1-dioxo-2,3-dihydro-1,3-benzothiazole-6-carboxylate (PubChem CID 19354789) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is methyl 5-methyl-1,1-dioxo-2,3-dihydro-1,3-benzothiazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-1,1-dioxo-2,3-dihydro-1,3-benzothiazole-6-carboxylate
PubChem CID19354789
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Namemethyl 5-methyl-1,1-dioxo-2,3-dihydro-1,3-benzothiazole-6-carboxylate
SMILESCOC(=O)c1cc2c(cc1C)NCS2(=O)=O
InChIInChI=1S/C10H11NO4S/c1-6-3-8-9(16(13,14)5-11-8)4-7(6)10(12)15-2/h3-4,11H,5H2,1-2H3
InChIKeyCDPTYGWKNCJKGP-UHFFFAOYSA-N
XLogP0.94
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-methyl-1,1-dioxo-2,3-dihydro-1,3-benzothiazole-6-carboxylate with MolForge

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Related Compounds

methyl 6-methyl-1,1,4-trioxo-2,3-dihydro-1λ6,3-benzothiazine-7-carboxylate
CID 19355146
methyl 6-ethyl-1,1,4-trioxo-2,3-dihydro-1λ6,3-benzothiazine-7-carboxylate
CID 19354987
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
dimethyl 2-methylbenzene-1,4-dicarboxylate;ethane
CID 143252882
methyl 1,1-dioxospiro[4,5-dihydro-2H-1λ6,5-benzothiazepine-3,1'-cyclopropane]-7-carboxylate
CID 115098955
methyl 5-bromo-4-hydroxy-2-methylbenzoate
CID 131384435
methyl 5-acetyl-4-hydroxy-2-methylbenzoate
CID 13227613
methyl 1,1-dioxospiro[4,5-dihydro-2H-1λ6,5-benzothiazepine-3,1'-cyclobutane]-7-carboxylate
CID 115099967
N-(diaminomethylidene)-5-methyl-1,1-dioxo-1-benzothiophene-6-carboxamide;methyl 5-methyl-1,1-dioxo-1-benzothiophene-6-carboxylate
CID 161344713
methyl 2,5-dimethyl-4-morpholin-2-ylbenzoate
CID 176562995

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-1,1-dioxo-2,3-dihydro-1,3-benzothiazole-6-carboxylate?
The IUPAC name of methyl 5-methyl-1,1-dioxo-2,3-dihydro-1,3-benzothiazole-6-carboxylate (CID 19354789) is methyl 5-methyl-1,1-dioxo-2,3-dihydro-1,3-benzothiazole-6-carboxylate.
What is the SMILES notation for methyl 5-methyl-1,1-dioxo-2,3-dihydro-1,3-benzothiazole-6-carboxylate?
The canonical SMILES for methyl 5-methyl-1,1-dioxo-2,3-dihydro-1,3-benzothiazole-6-carboxylate is COC(=O)c1cc2c(cc1C)NCS2(=O)=O.
What is the InChIKey of methyl 5-methyl-1,1-dioxo-2,3-dihydro-1,3-benzothiazole-6-carboxylate?
The InChIKey is CDPTYGWKNCJKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S/c1-6-3-8-9(16(13,14)5-11-8)4-7(6)10(12)15-2/h3-4,11H,5H2,1-2H3.
What are the key properties of methyl 5-methyl-1,1-dioxo-2,3-dihydro-1,3-benzothiazole-6-carboxylate?
methyl 5-methyl-1,1-dioxo-2,3-dihydro-1,3-benzothiazole-6-carboxylate has a molecular weight of 241.27 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-1,1-dioxo-2,3-dihydro-1,3-benzothiazole-6-carboxylate is sourced from PubChem (CID 19354789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).