1-methyl-2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-4-one

C11H14N2O3S — CID 611316

IUPAC1-methyl-2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-4-one
SMILESCC(C)N1C(=O)c2ccccc2N(C)S1(=O)=O
InChIInChI=1S/C11H14N2O3S/c1-8(2)13-11(14)9-6-4-5-7-10(9)12(3)17(13,15)16/h4-8H,1-3H3
InChIKeyXFTQFXBQDVWOCY-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.23
Rot. Bonds1

About 1-methyl-2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-4-one

1-methyl-2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-4-one (PubChem CID 611316) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-methyl-2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-4-one.

Molecular Properties

Compound Name1-methyl-2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-4-one
PubChem CID611316
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-methyl-2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-4-one
SMILESCC(C)N1C(=O)c2ccccc2N(C)S1(=O)=O
InChIInChI=1S/C11H14N2O3S/c1-8(2)13-11(14)9-6-4-5-7-10(9)12(3)17(13,15)16/h4-8H,1-3H3
InChIKeyXFTQFXBQDVWOCY-UHFFFAOYSA-N
XLogP1.23
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-4-one?
The IUPAC name of 1-methyl-2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-4-one (CID 611316) is 1-methyl-2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-4-one.
What is the SMILES notation for 1-methyl-2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-4-one?
The canonical SMILES for 1-methyl-2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-4-one is CC(C)N1C(=O)c2ccccc2N(C)S1(=O)=O.
What is the InChIKey of 1-methyl-2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-4-one?
The InChIKey is XFTQFXBQDVWOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-8(2)13-11(14)9-6-4-5-7-10(9)12(3)17(13,15)16/h4-8H,1-3H3.
What are the key properties of 1-methyl-2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-4-one?
1-methyl-2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-4-one has a molecular weight of 254.31 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-4-one is sourced from PubChem (CID 611316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).