6-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid

C11H13NO5S — CID 84641595

IUPAC6-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid
SMILESCOc1ccc2c(c1)NC(C)C(C(=O)O)S2(=O)=O
InChIInChI=1S/C11H13NO5S/c1-6-10(11(13)14)18(15,16)9-4-3-7(17-2)5-8(9)12-6/h3-6,10,12H,1-2H3,(H,13,14)
InChIKeyUMGUYQIVFKLNQN-UHFFFAOYSA-N
MW271.29 g/mol
LogP0.74
Rot. Bonds2

About 6-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid

6-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid (PubChem CID 84641595) has the molecular formula C11H13NO5S and a molecular weight of 271.29 g/mol. Its IUPAC name is 6-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid
PubChem CID84641595
Molecular FormulaC11H13NO5S
Molecular Weight271.29 g/mol
Exact Mass271.05
IUPAC Name6-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid
SMILESCOc1ccc2c(c1)NC(C)C(C(=O)O)S2(=O)=O
InChIInChI=1S/C11H13NO5S/c1-6-10(11(13)14)18(15,16)9-4-3-7(17-2)5-8(9)12-6/h3-6,10,12H,1-2H3,(H,13,14)
InChIKeyUMGUYQIVFKLNQN-UHFFFAOYSA-N
XLogP0.74
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid?
The IUPAC name of 6-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid (CID 84641595) is 6-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid.
What is the SMILES notation for 6-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid?
The canonical SMILES for 6-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid is COc1ccc2c(c1)NC(C)C(C(=O)O)S2(=O)=O.
What is the InChIKey of 6-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid?
The InChIKey is UMGUYQIVFKLNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5S/c1-6-10(11(13)14)18(15,16)9-4-3-7(17-2)5-8(9)12-6/h3-6,10,12H,1-2H3,(H,13,14).
What are the key properties of 6-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid?
6-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid has a molecular weight of 271.29 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid is sourced from PubChem (CID 84641595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).