2-ethyl-7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one

C10H12N2O3S — CID 82084501

IUPAC2-ethyl-7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
SMILESCCN1C(=O)Nc2ccc(C)cc2S1(=O)=O
InChIInChI=1S/C10H12N2O3S/c1-3-12-10(13)11-8-5-4-7(2)6-9(8)16(12,14)15/h4-6H,3H2,1-2H3,(H,11,13)
InChIKeyAYKHSMLEYGIDFT-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.55
Rot. Bonds1

About 2-ethyl-7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one

2-ethyl-7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one (PubChem CID 82084501) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-ethyl-7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one.

Molecular Properties

Compound Name2-ethyl-7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
PubChem CID82084501
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name2-ethyl-7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
SMILESCCN1C(=O)Nc2ccc(C)cc2S1(=O)=O
InChIInChI=1S/C10H12N2O3S/c1-3-12-10(13)11-8-5-4-7(2)6-9(8)16(12,14)15/h4-6H,3H2,1-2H3,(H,11,13)
InChIKeyAYKHSMLEYGIDFT-UHFFFAOYSA-N
XLogP1.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-7-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 82081960
1,1-dioxo-2-propyl-4H-1λ6,2,4-benzothiadiazin-3-one
CID 82084502
2-(7-fluoro-1,1,3-trioxo-4H-1λ6,2,4-benzothiadiazin-2-yl)acetic acid
CID 82093591
2-(2-aminoethyl)-7-methyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
CID 84635223
ethane;5-methyl-1H-indole-2,3-dione
CID 167465051
2-(7-methyl-1,1,3-trioxo-4H-1λ6,4-benzothiazin-2-yl)acetonitrile
CID 84633716
(4Z)-3-amino-4-(1-aminoethylidene)-6-methyl-1H-quinazolin-2-one;ethane
CID 177234679
5-methyl-1,1-dioxo-2-(2-oxopropyl)-1,2-benzothiazol-3-one
CID 20608632
6-chloro-2-ethyl-1,1-dioxo-1,2-benzothiazol-3-one
CID 67718228
7-tert-butyl-2-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
CID 82092570
6-methyl-2-[[1-(oxan-2-yl)cyclopropyl]methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
CID 167802629
6-methyl-4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one
CID 744400

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
The IUPAC name of 2-ethyl-7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one (CID 82084501) is 2-ethyl-7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one.
What is the SMILES notation for 2-ethyl-7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
The canonical SMILES for 2-ethyl-7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one is CCN1C(=O)Nc2ccc(C)cc2S1(=O)=O.
What is the InChIKey of 2-ethyl-7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
The InChIKey is AYKHSMLEYGIDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-3-12-10(13)11-8-5-4-7(2)6-9(8)16(12,14)15/h4-6H,3H2,1-2H3,(H,11,13).
What are the key properties of 2-ethyl-7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
2-ethyl-7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one has a molecular weight of 240.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one is sourced from PubChem (CID 82084501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).