methyl 3-oxo-4H-1,4-benzothiazine-5-carboxylate

C10H9NO3S — CID 115096558

IUPACmethyl 3-oxo-4H-1,4-benzothiazine-5-carboxylate
SMILESCOC(=O)c1cccc2c1NC(=O)CS2
InChIInChI=1S/C10H9NO3S/c1-14-10(13)6-3-2-4-7-9(6)11-8(12)5-15-7/h2-4H,5H2,1H3,(H,11,12)
InChIKeyOGQAXCKCBCODED-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.52
Rot. Bonds1

About methyl 3-oxo-4H-1,4-benzothiazine-5-carboxylate

methyl 3-oxo-4H-1,4-benzothiazine-5-carboxylate (PubChem CID 115096558) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is methyl 3-oxo-4H-1,4-benzothiazine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-oxo-4H-1,4-benzothiazine-5-carboxylate
PubChem CID115096558
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Namemethyl 3-oxo-4H-1,4-benzothiazine-5-carboxylate
SMILESCOC(=O)c1cccc2c1NC(=O)CS2
InChIInChI=1S/C10H9NO3S/c1-14-10(13)6-3-2-4-7-9(6)11-8(12)5-15-7/h2-4H,5H2,1H3,(H,11,12)
InChIKeyOGQAXCKCBCODED-UHFFFAOYSA-N
XLogP1.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-4H-1,4-benzothiazine-5-carboxylate?
The IUPAC name of methyl 3-oxo-4H-1,4-benzothiazine-5-carboxylate (CID 115096558) is methyl 3-oxo-4H-1,4-benzothiazine-5-carboxylate.
What is the SMILES notation for methyl 3-oxo-4H-1,4-benzothiazine-5-carboxylate?
The canonical SMILES for methyl 3-oxo-4H-1,4-benzothiazine-5-carboxylate is COC(=O)c1cccc2c1NC(=O)CS2.
What is the InChIKey of methyl 3-oxo-4H-1,4-benzothiazine-5-carboxylate?
The InChIKey is OGQAXCKCBCODED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-14-10(13)6-3-2-4-7-9(6)11-8(12)5-15-7/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of methyl 3-oxo-4H-1,4-benzothiazine-5-carboxylate?
methyl 3-oxo-4H-1,4-benzothiazine-5-carboxylate has a molecular weight of 223.25 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-4H-1,4-benzothiazine-5-carboxylate is sourced from PubChem (CID 115096558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).