2,2-dioxo-3-propan-2-yl-1,4-dihydro-2λ6,1,3-benzothiadiazine-8-carboxylic acid

C11H14N2O4S — CID 67600489

IUPAC2,2-dioxo-3-propan-2-yl-1,4-dihydro-2λ6,1,3-benzothiadiazine-8-carboxylic acid
SMILESCC(C)N1Cc2cccc(C(=O)O)c2NS1(=O)=O
InChIInChI=1S/C11H14N2O4S/c1-7(2)13-6-8-4-3-5-9(11(14)15)10(8)12-18(13,16)17/h3-5,7,12H,6H2,1-2H3,(H,14,15)
InChIKeyHKHSWYQZWVGAME-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.27
Rot. Bonds2

About 2,2-dioxo-3-propan-2-yl-1,4-dihydro-2λ6,1,3-benzothiadiazine-8-carboxylic acid

2,2-dioxo-3-propan-2-yl-1,4-dihydro-2λ6,1,3-benzothiadiazine-8-carboxylic acid (PubChem CID 67600489) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2,2-dioxo-3-propan-2-yl-1,4-dihydro-2λ6,1,3-benzothiadiazine-8-carboxylic acid.

Molecular Properties

Compound Name2,2-dioxo-3-propan-2-yl-1,4-dihydro-2λ6,1,3-benzothiadiazine-8-carboxylic acid
PubChem CID67600489
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name2,2-dioxo-3-propan-2-yl-1,4-dihydro-2λ6,1,3-benzothiadiazine-8-carboxylic acid
SMILESCC(C)N1Cc2cccc(C(=O)O)c2NS1(=O)=O
InChIInChI=1S/C11H14N2O4S/c1-7(2)13-6-8-4-3-5-9(11(14)15)10(8)12-18(13,16)17/h3-5,7,12H,6H2,1-2H3,(H,14,15)
InChIKeyHKHSWYQZWVGAME-UHFFFAOYSA-N
XLogP1.27
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-3-propan-2-yl-1,4-dihydro-2λ6,1,3-benzothiadiazine-8-carboxylic acid?
The IUPAC name of 2,2-dioxo-3-propan-2-yl-1,4-dihydro-2λ6,1,3-benzothiadiazine-8-carboxylic acid (CID 67600489) is 2,2-dioxo-3-propan-2-yl-1,4-dihydro-2λ6,1,3-benzothiadiazine-8-carboxylic acid.
What is the SMILES notation for 2,2-dioxo-3-propan-2-yl-1,4-dihydro-2λ6,1,3-benzothiadiazine-8-carboxylic acid?
The canonical SMILES for 2,2-dioxo-3-propan-2-yl-1,4-dihydro-2λ6,1,3-benzothiadiazine-8-carboxylic acid is CC(C)N1Cc2cccc(C(=O)O)c2NS1(=O)=O.
What is the InChIKey of 2,2-dioxo-3-propan-2-yl-1,4-dihydro-2λ6,1,3-benzothiadiazine-8-carboxylic acid?
The InChIKey is HKHSWYQZWVGAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-7(2)13-6-8-4-3-5-9(11(14)15)10(8)12-18(13,16)17/h3-5,7,12H,6H2,1-2H3,(H,14,15).
What are the key properties of 2,2-dioxo-3-propan-2-yl-1,4-dihydro-2λ6,1,3-benzothiadiazine-8-carboxylic acid?
2,2-dioxo-3-propan-2-yl-1,4-dihydro-2λ6,1,3-benzothiadiazine-8-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-3-propan-2-yl-1,4-dihydro-2λ6,1,3-benzothiadiazine-8-carboxylic acid is sourced from PubChem (CID 67600489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).