2-(2-methoxyethyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one

C10H12N2O4S — CID 82088955

IUPAC2-(2-methoxyethyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
SMILESCOCCN1C(=O)Nc2ccccc2S1(=O)=O
InChIInChI=1S/C10H12N2O4S/c1-16-7-6-12-10(13)11-8-4-2-3-5-9(8)17(12,14)15/h2-5H,6-7H2,1H3,(H,11,13)
InChIKeyMUXXHYPAAVHFSH-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.87
Rot. Bonds3

About 2-(2-methoxyethyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one

2-(2-methoxyethyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one (PubChem CID 82088955) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
PubChem CID82088955
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name2-(2-methoxyethyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
SMILESCOCCN1C(=O)Nc2ccccc2S1(=O)=O
InChIInChI=1S/C10H12N2O4S/c1-16-7-6-12-10(13)11-8-4-2-3-5-9(8)17(12,14)15/h2-5H,6-7H2,1H3,(H,11,13)
InChIKeyMUXXHYPAAVHFSH-UHFFFAOYSA-N
XLogP0.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
The IUPAC name of 2-(2-methoxyethyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one (CID 82088955) is 2-(2-methoxyethyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one is COCCN1C(=O)Nc2ccccc2S1(=O)=O.
What is the InChIKey of 2-(2-methoxyethyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
The InChIKey is MUXXHYPAAVHFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-16-7-6-12-10(13)11-8-4-2-3-5-9(8)17(12,14)15/h2-5H,6-7H2,1H3,(H,11,13).
What are the key properties of 2-(2-methoxyethyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
2-(2-methoxyethyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one has a molecular weight of 256.28 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one is sourced from PubChem (CID 82088955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).