2,2,6-trioxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]thiazine-9-carboxylic acid

C9H9NO5S — CID 117272663

IUPAC2,2,6-trioxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]thiazine-9-carboxylic acid
SMILESO=C(O)c1ccc(=O)n2c1CS(=O)(=O)CC2
InChIInChI=1S/C9H9NO5S/c11-8-2-1-6(9(12)13)7-5-16(14,15)4-3-10(7)8/h1-2H,3-5H2,(H,12,13)
InChIKeyJLDISZVWFOURJM-UHFFFAOYSA-N
MW243.24 g/mol
LogP-0.53
Rot. Bonds1

About 2,2,6-trioxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]thiazine-9-carboxylic acid

2,2,6-trioxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]thiazine-9-carboxylic acid (PubChem CID 117272663) has the molecular formula C9H9NO5S and a molecular weight of 243.24 g/mol. Its IUPAC name is 2,2,6-trioxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]thiazine-9-carboxylic acid.

Molecular Properties

Compound Name2,2,6-trioxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]thiazine-9-carboxylic acid
PubChem CID117272663
Molecular FormulaC9H9NO5S
Molecular Weight243.24 g/mol
Exact Mass243.02
IUPAC Name2,2,6-trioxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]thiazine-9-carboxylic acid
SMILESO=C(O)c1ccc(=O)n2c1CS(=O)(=O)CC2
InChIInChI=1S/C9H9NO5S/c11-8-2-1-6(9(12)13)7-5-16(14,15)4-3-10(7)8/h1-2H,3-5H2,(H,12,13)
InChIKeyJLDISZVWFOURJM-UHFFFAOYSA-N
XLogP-0.53
TPSA93.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trioxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]thiazine-9-carboxylic acid?
The IUPAC name of 2,2,6-trioxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]thiazine-9-carboxylic acid (CID 117272663) is 2,2,6-trioxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]thiazine-9-carboxylic acid.
What is the SMILES notation for 2,2,6-trioxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]thiazine-9-carboxylic acid?
The canonical SMILES for 2,2,6-trioxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]thiazine-9-carboxylic acid is O=C(O)c1ccc(=O)n2c1CS(=O)(=O)CC2.
What is the InChIKey of 2,2,6-trioxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]thiazine-9-carboxylic acid?
The InChIKey is JLDISZVWFOURJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO5S/c11-8-2-1-6(9(12)13)7-5-16(14,15)4-3-10(7)8/h1-2H,3-5H2,(H,12,13).
What are the key properties of 2,2,6-trioxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]thiazine-9-carboxylic acid?
2,2,6-trioxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]thiazine-9-carboxylic acid has a molecular weight of 243.24 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trioxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]thiazine-9-carboxylic acid is sourced from PubChem (CID 117272663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).