4,6-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid

C11H13NO2S — CID 84624409

IUPAC4,6-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid
SMILESCc1ccc2c(c1)N(C)C(C(=O)O)CS2
InChIInChI=1S/C11H13NO2S/c1-7-3-4-10-8(5-7)12(2)9(6-15-10)11(13)14/h3-5,9H,6H2,1-2H3,(H,13,14)
InChIKeyQLWONXZMYWAGEA-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.99
Rot. Bonds1

About 4,6-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid

4,6-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid (PubChem CID 84624409) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 4,6-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid
PubChem CID84624409
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name4,6-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid
SMILESCc1ccc2c(c1)N(C)C(C(=O)O)CS2
InChIInChI=1S/C11H13NO2S/c1-7-3-4-10-8(5-7)12(2)9(6-15-10)11(13)14/h3-5,9H,6H2,1-2H3,(H,13,14)
InChIKeyQLWONXZMYWAGEA-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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Related Compounds

2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetic acid
CID 645976
[2,5-Dimethyl-4-(2-p-tolylsulfanyl-phenyl)-piperazin-1-yl]-acetic acid
CID 44393002
1-[6-[(Dimethylamino)methyl]-2,3-dihydro-1,4-benzothiazin-4-yl]-2,2-dimethylpropan-1-one
CID 53014194
10-Phenothiazinyl-propionic acid
CID 14922577
3-[2-(Trifluoromethyl)phenothiazin-10-yl]propanoic acid
CID 12736345
4-Ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid
CID 13428502
2-[3-Oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetic acid
CID 13578765
Ethyl 2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetate
CID 13690768
Ethyl 2-[3-sulfanylidene-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetate
CID 13690784
2-[3-Sulfanylidene-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetic acid
CID 13690818
2-(6-Fluoro-2-methyl-3-oxo-1,4-benzothiazin-4-yl)acetic acid
CID 13690823
2-[2-(4-Fluorophenyl)-3-sulfanylidene-1,4-benzothiazin-4-yl]acetic acid
CID 13690841

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid (CID 84624409) is 4,6-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid is Cc1ccc2c(c1)N(C)C(C(=O)O)CS2.
What is the InChIKey of 4,6-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid?
The InChIKey is QLWONXZMYWAGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-7-3-4-10-8(5-7)12(2)9(6-15-10)11(13)14/h3-5,9H,6H2,1-2H3,(H,13,14).
What are the key properties of 4,6-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid?
4,6-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 4,6-dimethyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid is sourced from PubChem (CID 84624409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).