potassium 2,2-dioxo-3-propan-2-yl-2λ6,1,3-benzothiadiazin-1-id-4-one

C10H11KN2O3S — CID 20563508

IUPACpotassium 2,2-dioxo-3-propan-2-yl-2λ6,1,3-benzothiadiazin-1-id-4-one
SMILESCC(C)N1C(=O)c2ccccc2[N-]S1(=O)=O.[K+]
InChIInChI=1S/C10H12N2O3S.K/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1
InChIKeyPWXRYYIJHJMSJZ-UHFFFAOYSA-M
MW278.37 g/mol
LogP-1.20
Rot. Bonds1

About potassium 2,2-dioxo-3-propan-2-yl-2λ6,1,3-benzothiadiazin-1-id-4-one

potassium 2,2-dioxo-3-propan-2-yl-2λ6,1,3-benzothiadiazin-1-id-4-one (PubChem CID 20563508) has the molecular formula C10H11KN2O3S and a molecular weight of 278.37 g/mol. Its IUPAC name is potassium 2,2-dioxo-3-propan-2-yl-2λ6,1,3-benzothiadiazin-1-id-4-one.

Molecular Properties

Compound Namepotassium 2,2-dioxo-3-propan-2-yl-2λ6,1,3-benzothiadiazin-1-id-4-one
PubChem CID20563508
Molecular FormulaC10H11KN2O3S
Molecular Weight278.37 g/mol
Exact Mass278.01
IUPAC Namepotassium 2,2-dioxo-3-propan-2-yl-2λ6,1,3-benzothiadiazin-1-id-4-one
SMILESCC(C)N1C(=O)c2ccccc2[N-]S1(=O)=O.[K+]
InChIInChI=1S/C10H12N2O3S.K/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1
InChIKeyPWXRYYIJHJMSJZ-UHFFFAOYSA-M
XLogP-1.20
TPSA68.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-1.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium 2,2-dioxo-3-propan-2-yl-2λ6,1,3-benzothiadiazin-1-id-4-one?
The IUPAC name of potassium 2,2-dioxo-3-propan-2-yl-2λ6,1,3-benzothiadiazin-1-id-4-one (CID 20563508) is potassium 2,2-dioxo-3-propan-2-yl-2λ6,1,3-benzothiadiazin-1-id-4-one.
What is the SMILES notation for potassium 2,2-dioxo-3-propan-2-yl-2λ6,1,3-benzothiadiazin-1-id-4-one?
The canonical SMILES for potassium 2,2-dioxo-3-propan-2-yl-2λ6,1,3-benzothiadiazin-1-id-4-one is CC(C)N1C(=O)c2ccccc2[N-]S1(=O)=O.[K+].
What is the InChIKey of potassium 2,2-dioxo-3-propan-2-yl-2λ6,1,3-benzothiadiazin-1-id-4-one?
The InChIKey is PWXRYYIJHJMSJZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12N2O3S.K/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1.
What are the key properties of potassium 2,2-dioxo-3-propan-2-yl-2λ6,1,3-benzothiadiazin-1-id-4-one?
potassium 2,2-dioxo-3-propan-2-yl-2λ6,1,3-benzothiadiazin-1-id-4-one has a molecular weight of 278.37 g/mol, XLogP of -1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,2-dioxo-3-propan-2-yl-2λ6,1,3-benzothiadiazin-1-id-4-one is sourced from PubChem (CID 20563508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).