methyl 2-(2-oxo-1,4-benzothiazin-3-yl)acetate

C11H9NO3S — CID 51581695

IUPACmethyl 2-(2-oxo-1,4-benzothiazin-3-yl)acetate
SMILESCOC(=O)Cc1nc2ccccc2sc1=O
InChIInChI=1S/C11H9NO3S/c1-15-10(13)6-8-11(14)16-9-5-3-2-4-7(9)12-8/h2-5H,6H2,1H3
InChIKeyGVCJHHNPUWKLPU-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.37
Rot. Bonds2

About methyl 2-(2-oxo-1,4-benzothiazin-3-yl)acetate

methyl 2-(2-oxo-1,4-benzothiazin-3-yl)acetate (PubChem CID 51581695) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is methyl 2-(2-oxo-1,4-benzothiazin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-oxo-1,4-benzothiazin-3-yl)acetate
PubChem CID51581695
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Namemethyl 2-(2-oxo-1,4-benzothiazin-3-yl)acetate
SMILESCOC(=O)Cc1nc2ccccc2sc1=O
InChIInChI=1S/C11H9NO3S/c1-15-10(13)6-8-11(14)16-9-5-3-2-4-7(9)12-8/h2-5H,6H2,1H3
InChIKeyGVCJHHNPUWKLPU-UHFFFAOYSA-N
XLogP1.37
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxo-1,4-benzothiazin-3-yl)acetate?
The IUPAC name of methyl 2-(2-oxo-1,4-benzothiazin-3-yl)acetate (CID 51581695) is methyl 2-(2-oxo-1,4-benzothiazin-3-yl)acetate.
What is the SMILES notation for methyl 2-(2-oxo-1,4-benzothiazin-3-yl)acetate?
The canonical SMILES for methyl 2-(2-oxo-1,4-benzothiazin-3-yl)acetate is COC(=O)Cc1nc2ccccc2sc1=O.
What is the InChIKey of methyl 2-(2-oxo-1,4-benzothiazin-3-yl)acetate?
The InChIKey is GVCJHHNPUWKLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c1-15-10(13)6-8-11(14)16-9-5-3-2-4-7(9)12-8/h2-5H,6H2,1H3.
What are the key properties of methyl 2-(2-oxo-1,4-benzothiazin-3-yl)acetate?
methyl 2-(2-oxo-1,4-benzothiazin-3-yl)acetate has a molecular weight of 235.26 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxo-1,4-benzothiazin-3-yl)acetate is sourced from PubChem (CID 51581695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).