8-ethyl-2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one

C12H16N2O3S — CID 22768196

IUPAC8-ethyl-2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one
SMILESCCc1cccc2c1NS(=O)(=O)N(C(C)C)C2=O
InChIInChI=1S/C12H16N2O3S/c1-4-9-6-5-7-10-11(9)13-18(16,17)14(8(2)3)12(10)15/h5-8,13H,4H2,1-3H3
InChIKeyOZVAZZMEGPZMJH-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.77
Rot. Bonds2

About 8-ethyl-2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one

8-ethyl-2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one (PubChem CID 22768196) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 8-ethyl-2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one.

Molecular Properties

Compound Name8-ethyl-2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one
PubChem CID22768196
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name8-ethyl-2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one
SMILESCCc1cccc2c1NS(=O)(=O)N(C(C)C)C2=O
InChIInChI=1S/C12H16N2O3S/c1-4-9-6-5-7-10-11(9)13-18(16,17)14(8(2)3)12(10)15/h5-8,13H,4H2,1-3H3
InChIKeyOZVAZZMEGPZMJH-UHFFFAOYSA-N
XLogP1.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one?
The IUPAC name of 8-ethyl-2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one (CID 22768196) is 8-ethyl-2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one.
What is the SMILES notation for 8-ethyl-2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one?
The canonical SMILES for 8-ethyl-2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one is CCc1cccc2c1NS(=O)(=O)N(C(C)C)C2=O.
What is the InChIKey of 8-ethyl-2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one?
The InChIKey is OZVAZZMEGPZMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-4-9-6-5-7-10-11(9)13-18(16,17)14(8(2)3)12(10)15/h5-8,13H,4H2,1-3H3.
What are the key properties of 8-ethyl-2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one?
8-ethyl-2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one has a molecular weight of 268.34 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one is sourced from PubChem (CID 22768196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).