6-methyl-5,5-dioxoindeno[1,2-c][1,2]benzothiazin-11-one

C16H11NO3S — CID 138593696

IUPAC6-methyl-5,5-dioxoindeno[1,2-c][1,2]benzothiazin-11-one
SMILESCN1C2=C(C(=O)c3ccccc32)c2ccccc2S1(=O)=O
InChIInChI=1S/C16H11NO3S/c1-17-15-10-6-2-3-7-11(10)16(18)14(15)12-8-4-5-9-13(12)21(17,19)20/h2-9H,1H3
InChIKeyCFAZSERJAGFKNX-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.39
Rot. Bonds

About 6-methyl-5,5-dioxoindeno[1,2-c][1,2]benzothiazin-11-one

6-methyl-5,5-dioxoindeno[1,2-c][1,2]benzothiazin-11-one (PubChem CID 138593696) has the molecular formula C16H11NO3S and a molecular weight of 297.33 g/mol. Its IUPAC name is 6-methyl-5,5-dioxoindeno[1,2-c][1,2]benzothiazin-11-one.

Molecular Properties

Compound Name6-methyl-5,5-dioxoindeno[1,2-c][1,2]benzothiazin-11-one
PubChem CID138593696
Molecular FormulaC16H11NO3S
Molecular Weight297.33 g/mol
Exact Mass297.05
IUPAC Name6-methyl-5,5-dioxoindeno[1,2-c][1,2]benzothiazin-11-one
SMILESCN1C2=C(C(=O)c3ccccc32)c2ccccc2S1(=O)=O
InChIInChI=1S/C16H11NO3S/c1-17-15-10-6-2-3-7-11(10)16(18)14(15)12-8-4-5-9-13(12)21(17,19)20/h2-9H,1H3
InChIKeyCFAZSERJAGFKNX-UHFFFAOYSA-N
XLogP2.39
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5,5-dioxoindeno[1,2-c][1,2]benzothiazin-11-one?
The IUPAC name of 6-methyl-5,5-dioxoindeno[1,2-c][1,2]benzothiazin-11-one (CID 138593696) is 6-methyl-5,5-dioxoindeno[1,2-c][1,2]benzothiazin-11-one.
What is the SMILES notation for 6-methyl-5,5-dioxoindeno[1,2-c][1,2]benzothiazin-11-one?
The canonical SMILES for 6-methyl-5,5-dioxoindeno[1,2-c][1,2]benzothiazin-11-one is CN1C2=C(C(=O)c3ccccc32)c2ccccc2S1(=O)=O.
What is the InChIKey of 6-methyl-5,5-dioxoindeno[1,2-c][1,2]benzothiazin-11-one?
The InChIKey is CFAZSERJAGFKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3S/c1-17-15-10-6-2-3-7-11(10)16(18)14(15)12-8-4-5-9-13(12)21(17,19)20/h2-9H,1H3.
What are the key properties of 6-methyl-5,5-dioxoindeno[1,2-c][1,2]benzothiazin-11-one?
6-methyl-5,5-dioxoindeno[1,2-c][1,2]benzothiazin-11-one has a molecular weight of 297.33 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5,5-dioxoindeno[1,2-c][1,2]benzothiazin-11-one is sourced from PubChem (CID 138593696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).