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

C11H8N2O2S — CID 46887944

IUPAC3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione
SMILESO=C1C2=C(NCCS2)C(=O)c2ncccc21
InChIInChI=1S/C11H8N2O2S/c14-9-6-2-1-3-12-7(6)10(15)8-11(9)16-5-4-13-8/h1-3,13H,4-5H2
InChIKeyKKMVVCFIHLSNSA-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.01
Rot. Bonds

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

3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione (PubChem CID 46887944) has the molecular formula C11H8N2O2S and a molecular weight of 232.26 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione
PubChem CID46887944
Molecular FormulaC11H8N2O2S
Molecular Weight232.26 g/mol
Exact Mass232.03
IUPAC Name3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione
SMILESO=C1C2=C(NCCS2)C(=O)c2ncccc21
InChIInChI=1S/C11H8N2O2S/c14-9-6-2-1-3-12-7(6)10(15)8-11(9)16-5-4-13-8/h1-3,13H,4-5H2
InChIKeyKKMVVCFIHLSNSA-UHFFFAOYSA-N
XLogP1.01
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione?
The IUPAC name of 3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione (CID 46887944) is 3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione.
What is the SMILES notation for 3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione?
The canonical SMILES for 3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione is O=C1C2=C(NCCS2)C(=O)c2ncccc21.
What is the InChIKey of 3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione?
The InChIKey is KKMVVCFIHLSNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2S/c14-9-6-2-1-3-12-7(6)10(15)8-11(9)16-5-4-13-8/h1-3,13H,4-5H2.
What are the key properties of 3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione?
3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione has a molecular weight of 232.26 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione is sourced from PubChem (CID 46887944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).