methyl 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylate

C11H11NO3S — CID 2767715

IUPACmethyl 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)N(C)C(=O)CS2
InChIInChI=1S/C11H11NO3S/c1-12-8-5-7(11(14)15-2)3-4-9(8)16-6-10(12)13/h3-5H,6H2,1-2H3
InChIKeyKVJXXYMFFBWNFZ-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.54
Rot. Bonds1

About methyl 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylate

methyl 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylate (PubChem CID 2767715) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is methyl 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylate
PubChem CID2767715
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Namemethyl 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)N(C)C(=O)CS2
InChIInChI=1S/C11H11NO3S/c1-12-8-5-7(11(14)15-2)3-4-9(8)16-6-10(12)13/h3-5H,6H2,1-2H3
InChIKeyKVJXXYMFFBWNFZ-UHFFFAOYSA-N
XLogP1.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
CID 699501
2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid
CID 3507590
3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid
CID 760993
Ethyl 5-ethyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate
CID 4083983
10-Methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid
CID 3459174
methyl 3-oxo-2-piperidin-1-yl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
CID 3240502
3-oxo-2-pyrrolidin-1-yl-4H-1,4-benzothiazine-6-carboxylic acid
CID 3240735
methyl 3-oxo-2-pyrrolidin-1-yl-4H-1,4-benzothiazine-6-carboxylate
CID 3242193
Methyl 4-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thio}-3-nitrobenzoate
CID 3635322
Methyl 2-(dipropylamino)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
CID 4083996
(2-chlorophenyl)methyl 2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 18080517
Methyl 2-[4-(3,4-dihydro-2H-1,4-benzothiazin-4-YL)-4-oxobutanamido]benzoate
CID 20899579

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylate?
The IUPAC name of methyl 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylate (CID 2767715) is methyl 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylate?
The canonical SMILES for methyl 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylate is COC(=O)c1ccc2c(c1)N(C)C(=O)CS2.
What is the InChIKey of methyl 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylate?
The InChIKey is KVJXXYMFFBWNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-12-8-5-7(11(14)15-2)3-4-9(8)16-6-10(12)13/h3-5H,6H2,1-2H3.
What are the key properties of methyl 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylate?
methyl 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylate has a molecular weight of 237.28 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylate is sourced from PubChem (CID 2767715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).