2-(5-methoxy-8-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid

C12H15NO5S — CID 84643530

IUPAC2-(5-methoxy-8-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid
SMILESCOc1ccc(C)c2c1NC(CC(=O)O)CS2(=O)=O
InChIInChI=1S/C12H15NO5S/c1-7-3-4-9(18-2)11-12(7)19(16,17)6-8(13-11)5-10(14)15/h3-4,8,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyRQIWNNPBUCKFMK-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.05
Rot. Bonds3

About 2-(5-methoxy-8-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid

2-(5-methoxy-8-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid (PubChem CID 84643530) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-(5-methoxy-8-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methoxy-8-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid
PubChem CID84643530
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name2-(5-methoxy-8-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid
SMILESCOc1ccc(C)c2c1NC(CC(=O)O)CS2(=O)=O
InChIInChI=1S/C12H15NO5S/c1-7-3-4-9(18-2)11-12(7)19(16,17)6-8(13-11)5-10(14)15/h3-4,8,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyRQIWNNPBUCKFMK-UHFFFAOYSA-N
XLogP1.05
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(5-methoxy-8-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid with MolForge

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Related Compounds

2-(8-methoxy-5-methylspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-yl)acetic acid
CID 82624017
5-methoxy-2,2,8-trimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
CID 84641314
2-(5-methoxy-1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)acetic acid
CID 84628079
2-(7-methoxy-4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid
CID 83860546
(8-methoxy-5-methyl-1,2,3,4-tetrahydroquinolin-2-yl)methanamine
CID 84620741
2-[4-(2,3-dichloro-6-methoxyphenyl)piperidin-2-yl]acetic acid
CID 175761463
2-(8-methoxy-1,5-dimethyl-2-oxo-3,4-dihydroquinolin-4-yl)acetic acid
CID 84639173
2-[1-(2,6-dimethoxy-3-methylphenyl)cyclopropyl]acetic acid
CID 117379119
2-(7-methoxy-1,4-dimethylindol-2-yl)acetic acid
CID 83859941
3-cyclopropyl-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 82296370
2-(5-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetic acid
CID 84634947
7-methoxy-4-methylspiro[1H-indole-3,1'-cyclobutane]-2-one
CID 84622575

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-8-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid?
The IUPAC name of 2-(5-methoxy-8-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid (CID 84643530) is 2-(5-methoxy-8-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid.
What is the SMILES notation for 2-(5-methoxy-8-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid?
The canonical SMILES for 2-(5-methoxy-8-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid is COc1ccc(C)c2c1NC(CC(=O)O)CS2(=O)=O.
What is the InChIKey of 2-(5-methoxy-8-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid?
The InChIKey is RQIWNNPBUCKFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c1-7-3-4-9(18-2)11-12(7)19(16,17)6-8(13-11)5-10(14)15/h3-4,8,13H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 2-(5-methoxy-8-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid?
2-(5-methoxy-8-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid has a molecular weight of 285.32 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-8-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid is sourced from PubChem (CID 84643530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).