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

C9H12N2O2S — CID 68700654

IUPAC3-ethyl-2,4-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide
SMILESCCN1Cc2ccccc2S(=O)(=O)N1
InChIInChI=1S/C9H12N2O2S/c1-2-11-7-8-5-3-4-6-9(8)14(12,13)10-11/h3-6,10H,2,7H2,1H3
InChIKeyNJUGYJLUKCJAED-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.72
Rot. Bonds1

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

3-ethyl-2,4-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide (PubChem CID 68700654) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-ethyl-2,4-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-ethyl-2,4-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide
PubChem CID68700654
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name3-ethyl-2,4-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide
SMILESCCN1Cc2ccccc2S(=O)(=O)N1
InChIInChI=1S/C9H12N2O2S/c1-2-11-7-8-5-3-4-6-9(8)14(12,13)10-11/h3-6,10H,2,7H2,1H3
InChIKeyNJUGYJLUKCJAED-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide?
The IUPAC name of 3-ethyl-2,4-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide (CID 68700654) is 3-ethyl-2,4-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 3-ethyl-2,4-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 3-ethyl-2,4-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide is CCN1Cc2ccccc2S(=O)(=O)N1.
What is the InChIKey of 3-ethyl-2,4-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide?
The InChIKey is NJUGYJLUKCJAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-2-11-7-8-5-3-4-6-9(8)14(12,13)10-11/h3-6,10H,2,7H2,1H3.
What are the key properties of 3-ethyl-2,4-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide?
3-ethyl-2,4-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide has a molecular weight of 212.27 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 68700654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).