6-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid

C11H13NO3S — CID 84629449

IUPAC6-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid
SMILESCOc1ccc2c(c1)N(C)C(C(=O)O)CS2
InChIInChI=1S/C11H13NO3S/c1-12-8-5-7(15-2)3-4-10(8)16-6-9(12)11(13)14/h3-5,9H,6H2,1-2H3,(H,13,14)
InChIKeyGMNAJTPCYPVIGB-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.69
Rot. Bonds2

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

6-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid (PubChem CID 84629449) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 6-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid
PubChem CID84629449
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name6-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid
SMILESCOc1ccc2c(c1)N(C)C(C(=O)O)CS2
InChIInChI=1S/C11H13NO3S/c1-12-8-5-7(15-2)3-4-10(8)16-6-9(12)11(13)14/h3-5,9H,6H2,1-2H3,(H,13,14)
InChIKeyGMNAJTPCYPVIGB-UHFFFAOYSA-N
XLogP1.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)acetic acid
CID 84634962
2-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
CID 83911058
7-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-3-carboxylic acid
CID 84628075
4-(2-cyano-5-methoxyphenyl)thiomorpholine-3-carboxylic acid
CID 82900939
3-(2-hydroxy-4-methoxybenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63790731
2-(6-methoxy-3,4-dihydro-2H-1,4-benzothiazin-3-yl)acetic acid
CID 84629451
(2R)-2-(3-methoxyphenyl)-1,3-thiazolidine-3,4-dicarboxylic acid
CID 90789628
6-methoxy-4-methyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinoline-9-carboxylic acid
CID 115008080
3-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-2-methylpropanoic acid
CID 117202458
3-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-2,2-dimethylpropanoic acid
CID 117202459
4-[(3-methoxyphenyl)methyl]thiomorpholine-3-carboxylic acid
CID 82906012
4-(2,5-dimethoxyphenyl)morpholine-3-carboxylic acid
CID 117009152

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid?
The IUPAC name of 6-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid (CID 84629449) is 6-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid.
What is the SMILES notation for 6-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid?
The canonical SMILES for 6-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid is COc1ccc2c(c1)N(C)C(C(=O)O)CS2.
What is the InChIKey of 6-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid?
The InChIKey is GMNAJTPCYPVIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-12-8-5-7(15-2)3-4-10(8)16-6-9(12)11(13)14/h3-5,9H,6H2,1-2H3,(H,13,14).
What are the key properties of 6-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid?
6-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid has a molecular weight of 239.30 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid is sourced from PubChem (CID 84629449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).