3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C11H14N2O2S — CID 53239267

IUPAC3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCC(C)CC1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C11H14N2O2S/c1-8(2)7-11-12-9-5-3-4-6-10(9)16(14,15)13-11/h3-6,8H,7H2,1-2H3,(H,12,13)
InChIKeyZBVKIEOGZAXGET-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.25
Rot. Bonds2

About 3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 53239267) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID53239267
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCC(C)CC1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C11H14N2O2S/c1-8(2)7-11-12-9-5-3-4-6-10(9)16(14,15)13-11/h3-6,8H,7H2,1-2H3,(H,12,13)
InChIKeyZBVKIEOGZAXGET-UHFFFAOYSA-N
XLogP2.25
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 53239267) is 3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is CC(C)CC1=NS(=O)(=O)c2ccccc2N1.
What is the InChIKey of 3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is ZBVKIEOGZAXGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-8(2)7-11-12-9-5-3-4-6-10(9)16(14,15)13-11/h3-6,8H,7H2,1-2H3,(H,12,13).
What are the key properties of 3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 238.31 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 53239267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).