4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid

C11H13NO2S — CID 84624390

IUPAC4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid
SMILESCc1cccc2c1N(C)C(C(=O)O)CS2
InChIInChI=1S/C11H13NO2S/c1-7-4-3-5-9-10(7)12(2)8(6-15-9)11(13)14/h3-5,8H,6H2,1-2H3,(H,13,14)
InChIKeyXIZKQNDKGLOBAL-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.99
Rot. Bonds1

About 4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid

4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid (PubChem CID 84624390) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid.

Molecular Properties

Compound Name4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid
PubChem CID84624390
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid
SMILESCc1cccc2c1N(C)C(C(=O)O)CS2
InChIInChI=1S/C11H13NO2S/c1-7-4-3-5-9-10(7)12(2)8(6-15-9)11(13)14/h3-5,8H,6H2,1-2H3,(H,13,14)
InChIKeyXIZKQNDKGLOBAL-UHFFFAOYSA-N
XLogP1.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid?
The IUPAC name of 4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid (CID 84624390) is 4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid.
What is the SMILES notation for 4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid?
The canonical SMILES for 4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid is Cc1cccc2c1N(C)C(C(=O)O)CS2.
What is the InChIKey of 4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid?
The InChIKey is XIZKQNDKGLOBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-7-4-3-5-9-10(7)12(2)8(6-15-9)11(13)14/h3-5,8H,6H2,1-2H3,(H,13,14).
What are the key properties of 4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid?
4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid has a molecular weight of 223.30 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid is sourced from PubChem (CID 84624390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).