4-ethyl-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide

C10H12N2O2S — CID 22588838

IUPAC4-ethyl-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCN1C=NS(=O)(=O)c2ccc(C)cc21
InChIInChI=1S/C10H12N2O2S/c1-3-12-7-11-15(13,14)10-5-4-8(2)6-9(10)12/h4-7H,3H2,1-2H3
InChIKeyMRLKXMHDIOGAJG-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.55
Rot. Bonds1

About 4-ethyl-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide

4-ethyl-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 22588838) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-ethyl-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-ethyl-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID22588838
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name4-ethyl-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCN1C=NS(=O)(=O)c2ccc(C)cc21
InChIInChI=1S/C10H12N2O2S/c1-3-12-7-11-15(13,14)10-5-4-8(2)6-9(10)12/h4-7H,3H2,1-2H3
InChIKeyMRLKXMHDIOGAJG-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-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide with MolForge

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Related Compounds

N-Ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 74568
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
3-[(6-methyl-1,1-dioxido-4H-1,2,4-benzothiadiazin-4-yl)methyl]benzonitrile
CID 24761520
4H-1,2,4-Benzothiadiazine, 3-chloro-4-ethyl-, 1,1-dioxide
CID 198691
4H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide
CID 69760
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-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide
CID 2137931
2H-1,2,4-Benzothiadiazine-6-methanamine, 3-methyl-, 1,1-dioxide, monohydrochloride
CID 3061886

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 4-ethyl-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 22588838) is 4-ethyl-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 4-ethyl-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 4-ethyl-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide is CCN1C=NS(=O)(=O)c2ccc(C)cc21.
What is the InChIKey of 4-ethyl-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is MRLKXMHDIOGAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-3-12-7-11-15(13,14)10-5-4-8(2)6-9(10)12/h4-7H,3H2,1-2H3.
What are the key properties of 4-ethyl-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
4-ethyl-6-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-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 22588838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).