4-ethyl-7-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide

C10H12N2O2S — CID 16732469

IUPAC4-ethyl-7-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCN1C=NS(=O)(=O)c2cc(C)ccc21
InChIInChI=1S/C10H12N2O2S/c1-3-12-7-11-15(13,14)10-6-8(2)4-5-9(10)12/h4-7H,3H2,1-2H3
InChIKeyCURBFTXDLIKLFV-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.55
Rot. Bonds1

About 4-ethyl-7-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide

4-ethyl-7-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 16732469) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-ethyl-7-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-ethyl-7-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID16732469
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name4-ethyl-7-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCN1C=NS(=O)(=O)c2cc(C)ccc21
InChIInChI=1S/C10H12N2O2S/c1-3-12-7-11-15(13,14)10-6-8(2)4-5-9(10)12/h4-7H,3H2,1-2H3
InChIKeyCURBFTXDLIKLFV-UHFFFAOYSA-N
XLogP1.55
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-7-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide 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

4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide
CID 198690
6-methyl-4-(4-nitrobenzyl)-4H-1,2,4-benzothiadiazine 1,1-dioxide
CID 24761446
N-[[4-(diethylamino)phenyl]methyl]-3-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 71584411
4H-1,2,4-Benzothiadiazine, 3-chloro-4-ethyl-, 1,1-dioxide
CID 198691
N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 71624179
4-(4-nitrobenzyl)-4H-1,2,4-benzothiadiazine 1,1-dioxide
CID 2151543
3-[(1,1-dioxido-4H-1,2,4-benzothiadiazin-4-yl)methyl]benzonitrile
CID 24761467
4-[(1,1-dioxido-4H-1,2,4-benzothiadiazin-4-yl)methyl]benzonitrile
CID 24792913
4-Cyclopropyl-7-methyl-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 67529506
N-[[4-(diethylamino)phenyl]methyl]-N-heptyl-3-methylbenzenesulfonamide
CID 71583831
3-Isopropylamino-7-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide
CID 135442583
4-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide
CID 2137931

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 4-ethyl-7-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 16732469) is 4-ethyl-7-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 4-ethyl-7-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 4-ethyl-7-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide is CCN1C=NS(=O)(=O)c2cc(C)ccc21.
What is the InChIKey of 4-ethyl-7-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is CURBFTXDLIKLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-3-12-7-11-15(13,14)10-6-8(2)4-5-9(10)12/h4-7H,3H2,1-2H3.
What are the key properties of 4-ethyl-7-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
4-ethyl-7-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 224.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 16732469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).