7-methoxy-1-oxo-4H-1λ4,4-benzothiazin-3-one

C9H9NO3S — CID 105356975

IUPAC7-methoxy-1-oxo-4H-1λ4,4-benzothiazin-3-one
SMILESCOc1ccc2c(c1)S(=O)CC(=O)N2
InChIInChI=1S/C9H9NO3S/c1-13-6-2-3-7-8(4-6)14(12)5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11)
InChIKeyIJXFNOXZCXUFJO-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.75
Rot. Bonds1

About 7-methoxy-1-oxo-4H-1λ4,4-benzothiazin-3-one

7-methoxy-1-oxo-4H-1λ4,4-benzothiazin-3-one (PubChem CID 105356975) has the molecular formula C9H9NO3S and a molecular weight of 211.24 g/mol. Its IUPAC name is 7-methoxy-1-oxo-4H-1λ4,4-benzothiazin-3-one.

Molecular Properties

Compound Name7-methoxy-1-oxo-4H-1λ4,4-benzothiazin-3-one
PubChem CID105356975
Molecular FormulaC9H9NO3S
Molecular Weight211.24 g/mol
Exact Mass211.03
IUPAC Name7-methoxy-1-oxo-4H-1λ4,4-benzothiazin-3-one
SMILESCOc1ccc2c(c1)S(=O)CC(=O)N2
InChIInChI=1S/C9H9NO3S/c1-13-6-2-3-7-8(4-6)14(12)5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11)
InChIKeyIJXFNOXZCXUFJO-UHFFFAOYSA-N
XLogP0.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methoxy-1-oxo-4,5-dihydro-1λ4,4-benzothiazepin-3-one
CID 54562668
7-methoxy-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one;hydrochloride
CID 70677274
5-methoxy-2,3-dihydro-1,3-benzothiazole 1-oxide
CID 67694889
4-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one
CID 130007478
8-methoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 90351253
5-methoxy-1,3-dihydroindol-2-one;2,2,2-trichloroethane-1,1-diol
CID 158837669
6-methoxy-4H-1,4-benzoxazin-3-one
CID 13204952
(7-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl)carbamic acid
CID 138688553
7-methoxy-3,4-dihydro-1,4-benzothiazin-2-one
CID 115095138
10-methoxy-5,7-dihydrobenzo[d][1]benzazepin-6-one
CID 102201703
7-methoxy-4H-1,4-benzoxazin-3-one;7-methoxy-3,4-dihydro-2H-1,4-benzoxazine
CID 167586416
10-methoxy-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione
CID 155809430

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-oxo-4H-1λ4,4-benzothiazin-3-one?
The IUPAC name of 7-methoxy-1-oxo-4H-1λ4,4-benzothiazin-3-one (CID 105356975) is 7-methoxy-1-oxo-4H-1λ4,4-benzothiazin-3-one.
What is the SMILES notation for 7-methoxy-1-oxo-4H-1λ4,4-benzothiazin-3-one?
The canonical SMILES for 7-methoxy-1-oxo-4H-1λ4,4-benzothiazin-3-one is COc1ccc2c(c1)S(=O)CC(=O)N2.
What is the InChIKey of 7-methoxy-1-oxo-4H-1λ4,4-benzothiazin-3-one?
The InChIKey is IJXFNOXZCXUFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3S/c1-13-6-2-3-7-8(4-6)14(12)5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11).
What are the key properties of 7-methoxy-1-oxo-4H-1λ4,4-benzothiazin-3-one?
7-methoxy-1-oxo-4H-1λ4,4-benzothiazin-3-one has a molecular weight of 211.24 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-oxo-4H-1λ4,4-benzothiazin-3-one is sourced from PubChem (CID 105356975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).