4-ethyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

C10H14N2O2S — CID 16732326

IUPAC4-ethyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCN1CNS(=O)(=O)c2cc(C)ccc21
InChIInChI=1S/C10H14N2O2S/c1-3-12-7-11-15(13,14)10-6-8(2)4-5-9(10)12/h4-6,11H,3,7H2,1-2H3
InChIKeyZIKHYVYKTICLLZ-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.07
Rot. Bonds1

About 4-ethyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

4-ethyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 16732326) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-ethyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-ethyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID16732326
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name4-ethyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCN1CNS(=O)(=O)c2cc(C)ccc21
InChIInChI=1S/C10H14N2O2S/c1-3-12-7-11-15(13,14)10-6-8(2)4-5-9(10)12/h4-6,11H,3,7H2,1-2H3
InChIKeyZIKHYVYKTICLLZ-UHFFFAOYSA-N
XLogP1.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide with MolForge

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Related Compounds

1,2,3,4-Tetrahydroquinoline-6-sulfonamide
CID 16227153
Caldaret
CID 6433076
4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 67531324
2H-1,2,4-Benzothiadiazine, 3,4-dihydro-, 1,1-dioxide
CID 120220
5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
CID 82080973
4-ethyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 16732615
2H-1,2,4-Benzothiadiazin-3(4H)-one, 7-methyl-, 1,1-dioxide
CID 10081897
5-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione
CID 12528487
4-Cyclopropyl-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide
CID 67530213
4-Cyclopropyl-1,1-dioxo-2,3-dihydro-1lambda6,2,4-benzothiadiazine-7-carbonitrile
CID 67530629
1,2,3,4-Tetrahydro-3-methyl-8-quinolinesulfonamide
CID 42959251
N-Ethyl-3-Methyl-2-Oxo-1,2,3,4-Tetrahydroquinazoline-6-Sulfonamide
CID 66553124

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 4-ethyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 16732326) is 4-ethyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 4-ethyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 4-ethyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is CCN1CNS(=O)(=O)c2cc(C)ccc21.
What is the InChIKey of 4-ethyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is ZIKHYVYKTICLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-3-12-7-11-15(13,14)10-6-8(2)4-5-9(10)12/h4-6,11H,3,7H2,1-2H3.
What are the key properties of 4-ethyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
4-ethyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 226.30 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 16732326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).