6-acetyl-1,3-benzothiazine-2,4-dione

C10H7NO3S — CID 21331324

IUPAC6-acetyl-1,3-benzothiazine-2,4-dione
SMILESCC(=O)c1ccc2sc(=O)[nH]c(=O)c2c1
InChIInChI=1S/C10H7NO3S/c1-5(12)6-2-3-8-7(4-6)9(13)11-10(14)15-8/h2-4H,1H3,(H,11,13,14)
InChIKeyONZIYTUIGGRHIV-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.15
Rot. Bonds1

About 6-acetyl-1,3-benzothiazine-2,4-dione

6-acetyl-1,3-benzothiazine-2,4-dione (PubChem CID 21331324) has the molecular formula C10H7NO3S and a molecular weight of 221.24 g/mol. Its IUPAC name is 6-acetyl-1,3-benzothiazine-2,4-dione.

Molecular Properties

Compound Name6-acetyl-1,3-benzothiazine-2,4-dione
PubChem CID21331324
Molecular FormulaC10H7NO3S
Molecular Weight221.24 g/mol
Exact Mass221.01
IUPAC Name6-acetyl-1,3-benzothiazine-2,4-dione
SMILESCC(=O)c1ccc2sc(=O)[nH]c(=O)c2c1
InChIInChI=1S/C10H7NO3S/c1-5(12)6-2-3-8-7(4-6)9(13)11-10(14)15-8/h2-4H,1H3,(H,11,13,14)
InChIKeyONZIYTUIGGRHIV-UHFFFAOYSA-N
XLogP1.15
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-1,3-benzothiazine-2,4-dione?
The IUPAC name of 6-acetyl-1,3-benzothiazine-2,4-dione (CID 21331324) is 6-acetyl-1,3-benzothiazine-2,4-dione.
What is the SMILES notation for 6-acetyl-1,3-benzothiazine-2,4-dione?
The canonical SMILES for 6-acetyl-1,3-benzothiazine-2,4-dione is CC(=O)c1ccc2sc(=O)[nH]c(=O)c2c1.
What is the InChIKey of 6-acetyl-1,3-benzothiazine-2,4-dione?
The InChIKey is ONZIYTUIGGRHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3S/c1-5(12)6-2-3-8-7(4-6)9(13)11-10(14)15-8/h2-4H,1H3,(H,11,13,14).
What are the key properties of 6-acetyl-1,3-benzothiazine-2,4-dione?
6-acetyl-1,3-benzothiazine-2,4-dione has a molecular weight of 221.24 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-1,3-benzothiazine-2,4-dione is sourced from PubChem (CID 21331324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).