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

C11H13NO2S — CID 84624389

IUPAC4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid
SMILESCc1cccc2c1N(C)CC(C(=O)O)S2
InChIInChI=1S/C11H13NO2S/c1-7-4-3-5-8-10(7)12(2)6-9(15-8)11(13)14/h3-5,9H,6H2,1-2H3,(H,13,14)
InChIKeyRTAIUJCXABROCO-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.99
Rot. Bonds1

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

4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid (PubChem CID 84624389) 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-2-carboxylic acid.

Molecular Properties

Compound Name4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid
PubChem CID84624389
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid
SMILESCc1cccc2c1N(C)CC(C(=O)O)S2
InChIInChI=1S/C11H13NO2S/c1-7-4-3-5-8-10(7)12(2)6-9(15-8)11(13)14/h3-5,9H,6H2,1-2H3,(H,13,14)
InChIKeyRTAIUJCXABROCO-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

5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid
CID 84639980
4,5-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 84620861
2-(2,5-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetic acid
CID 84628879
7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid
CID 84639964
4,4-dimethyl-2,3-dihydrothiochromene-2-carboxylic acid
CID 165485156
1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4739040
4-(2,6-dimethylphenyl)morpholine-2-carboxylic acid
CID 117008757
2-(5-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoacetic acid
CID 84628824
(3S,4R)-3-amino-1,8-dimethyl-3,4-dihydro-2H-quinolin-4-ol
CID 124510547
3-amino-1,8-dimethyl-3,4-dihydro-2H-quinolin-4-ol
CID 83753144
3-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzoic acid
CID 107112275
3-(2,6-dimethylphenyl)-2-oxo-1,3-oxazinane-5-carboxylic acid
CID 117010267

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid?
The IUPAC name of 4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid (CID 84624389) is 4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid.
What is the SMILES notation for 4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid?
The canonical SMILES for 4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid is Cc1cccc2c1N(C)CC(C(=O)O)S2.
What is the InChIKey of 4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid?
The InChIKey is RTAIUJCXABROCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-7-4-3-5-8-10(7)12(2)6-9(15-8)11(13)14/h3-5,9H,6H2,1-2H3,(H,13,14).
What are the key properties of 4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid?
4,5-dimethyl-2,3-dihydro-1,4-benzothiazine-2-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-2-carboxylic acid is sourced from PubChem (CID 84624389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).