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

C9H12N2O2S — CID 16732619

IUPAC4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCN1CNS(=O)(=O)c2ccccc21
InChIInChI=1S/C9H12N2O2S/c1-2-11-7-10-14(12,13)9-6-4-3-5-8(9)11/h3-6,10H,2,7H2,1H3
InChIKeyTZTPGRQUVVCZMB-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.76
Rot. Bonds1

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

4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 16732619) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID16732619
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCN1CNS(=O)(=O)c2ccccc21
InChIInChI=1S/C9H12N2O2S/c1-2-11-7-10-14(12,13)9-6-4-3-5-8(9)11/h3-6,10H,2,7H2,1H3
InChIKeyTZTPGRQUVVCZMB-UHFFFAOYSA-N
XLogP0.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

Idra 21
CID 3688
S-18986
CID 637863
4-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione
CID 11615432
3,4-dihydro-2H-1,2,4-benzothiadiazine-1,1,3-trione
CID 474578
4-(Piperazin-1-yl)benzene-1-sulfonamide
CID 901897
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
Benzenesulfonamide, 2-amino-N-ethyl-N-phenyl-
CID 66472
7-chloro-4-(2-fluoroethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 11161396
4-ethyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 16732615
4-Cyclopropyl-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide
CID 67530213
7-Chloro-4-cyclopropyl-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 67530520

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 16732619) is 4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is CCN1CNS(=O)(=O)c2ccccc21.
What is the InChIKey of 4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is TZTPGRQUVVCZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-2-11-7-10-14(12,13)9-6-4-3-5-8(9)11/h3-6,10H,2,7H2,1H3.
What are the key properties of 4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 212.27 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 16732619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).