2,2-dioxo-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]thiazine-6-carboxylic acid

C8H9NO4S — CID 115004670

IUPAC2,2-dioxo-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]thiazine-6-carboxylic acid
SMILESO=C(O)c1ccc2n1CCS(=O)(=O)C2
InChIInChI=1S/C8H9NO4S/c10-8(11)7-2-1-6-5-14(12,13)4-3-9(6)7/h1-2H,3-5H2,(H,10,11)
InChIKeyWGWLZEHOFSPRLM-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.11
Rot. Bonds1

About 2,2-dioxo-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]thiazine-6-carboxylic acid

2,2-dioxo-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]thiazine-6-carboxylic acid (PubChem CID 115004670) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is 2,2-dioxo-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]thiazine-6-carboxylic acid.

Molecular Properties

Compound Name2,2-dioxo-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]thiazine-6-carboxylic acid
PubChem CID115004670
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name2,2-dioxo-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]thiazine-6-carboxylic acid
SMILESO=C(O)c1ccc2n1CCS(=O)(=O)C2
InChIInChI=1S/C8H9NO4S/c10-8(11)7-2-1-6-5-14(12,13)4-3-9(6)7/h1-2H,3-5H2,(H,10,11)
InChIKeyWGWLZEHOFSPRLM-UHFFFAOYSA-N
XLogP0.11
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]thiazine-6-carboxylic acid?
The IUPAC name of 2,2-dioxo-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]thiazine-6-carboxylic acid (CID 115004670) is 2,2-dioxo-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]thiazine-6-carboxylic acid.
What is the SMILES notation for 2,2-dioxo-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]thiazine-6-carboxylic acid?
The canonical SMILES for 2,2-dioxo-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]thiazine-6-carboxylic acid is O=C(O)c1ccc2n1CCS(=O)(=O)C2.
What is the InChIKey of 2,2-dioxo-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]thiazine-6-carboxylic acid?
The InChIKey is WGWLZEHOFSPRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c10-8(11)7-2-1-6-5-14(12,13)4-3-9(6)7/h1-2H,3-5H2,(H,10,11).
What are the key properties of 2,2-dioxo-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]thiazine-6-carboxylic acid?
2,2-dioxo-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]thiazine-6-carboxylic acid has a molecular weight of 215.23 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]thiazine-6-carboxylic acid is sourced from PubChem (CID 115004670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).