1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione

C11H8N2O4S — CID 11558005

IUPAC1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione
SMILESO=C1C2=C(NCCS2(=O)=O)C(=O)c2ncccc21
InChIInChI=1S/C11H8N2O4S/c14-9-6-2-1-3-12-7(6)10(15)8-11(9)18(16,17)5-4-13-8/h1-3,13H,4-5H2
InChIKeyLHDHPFUYJLRTEA-UHFFFAOYSA-N
MW264.26 g/mol
LogP-0.31
Rot. Bonds

About 1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione

1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione (PubChem CID 11558005) has the molecular formula C11H8N2O4S and a molecular weight of 264.26 g/mol. Its IUPAC name is 1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione.

Molecular Properties

Compound Name1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione
PubChem CID11558005
Molecular FormulaC11H8N2O4S
Molecular Weight264.26 g/mol
Exact Mass264.02
IUPAC Name1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione
SMILESO=C1C2=C(NCCS2(=O)=O)C(=O)c2ncccc21
InChIInChI=1S/C11H8N2O4S/c14-9-6-2-1-3-12-7(6)10(15)8-11(9)18(16,17)5-4-13-8/h1-3,13H,4-5H2
InChIKeyLHDHPFUYJLRTEA-UHFFFAOYSA-N
XLogP-0.31
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione?
The IUPAC name of 1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione (CID 11558005) is 1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione.
What is the SMILES notation for 1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione?
The canonical SMILES for 1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione is O=C1C2=C(NCCS2(=O)=O)C(=O)c2ncccc21.
What is the InChIKey of 1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione?
The InChIKey is LHDHPFUYJLRTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4S/c14-9-6-2-1-3-12-7(6)10(15)8-11(9)18(16,17)5-4-13-8/h1-3,13H,4-5H2.
What are the key properties of 1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione?
1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione has a molecular weight of 264.26 g/mol, XLogP of -0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione is sourced from PubChem (CID 11558005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).