6-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid

C9H9NO3S — CID 54413165

IUPAC6-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid
SMILESO=C(O)C1CNc2cc(O)ccc2S1
InChIInChI=1S/C9H9NO3S/c11-5-1-2-7-6(3-5)10-4-8(14-7)9(12)13/h1-3,8,10-11H,4H2,(H,12,13)
InChIKeyVVONVSJMHFKUPR-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.36
Rot. Bonds1

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

6-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid (PubChem CID 54413165) has the molecular formula C9H9NO3S and a molecular weight of 211.24 g/mol. Its IUPAC name is 6-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid
PubChem CID54413165
Molecular FormulaC9H9NO3S
Molecular Weight211.24 g/mol
Exact Mass211.03
IUPAC Name6-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid
SMILESO=C(O)C1CNc2cc(O)ccc2S1
InChIInChI=1S/C9H9NO3S/c11-5-1-2-7-6(3-5)10-4-8(14-7)9(12)13/h1-3,8,10-11H,4H2,(H,12,13)
InChIKeyVVONVSJMHFKUPR-UHFFFAOYSA-N
XLogP1.36
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid?
The IUPAC name of 6-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid (CID 54413165) is 6-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid.
What is the SMILES notation for 6-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid?
The canonical SMILES for 6-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid is O=C(O)C1CNc2cc(O)ccc2S1.
What is the InChIKey of 6-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid?
The InChIKey is VVONVSJMHFKUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3S/c11-5-1-2-7-6(3-5)10-4-8(14-7)9(12)13/h1-3,8,10-11H,4H2,(H,12,13).
What are the key properties of 6-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid?
6-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid has a molecular weight of 211.24 g/mol, XLogP of 1.36, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid is sourced from PubChem (CID 54413165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).