3-propan-2-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C10H14N2O2S — CID 22588810

IUPAC3-propan-2-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCC(C)C1Nc2ccccc2S(=O)(=O)N1
InChIInChI=1S/C10H14N2O2S/c1-7(2)10-11-8-5-3-4-6-9(8)15(13,14)12-10/h3-7,10-12H,1-2H3
InChIKeySJLUTZUOECMUDQ-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.37
Rot. Bonds1

About 3-propan-2-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide

3-propan-2-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 22588810) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-propan-2-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-propan-2-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID22588810
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name3-propan-2-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCC(C)C1Nc2ccccc2S(=O)(=O)N1
InChIInChI=1S/C10H14N2O2S/c1-7(2)10-11-8-5-3-4-6-9(8)15(13,14)12-10/h3-7,10-12H,1-2H3
InChIKeySJLUTZUOECMUDQ-UHFFFAOYSA-N
XLogP1.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 3-propan-2-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 22588810) is 3-propan-2-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 3-propan-2-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 3-propan-2-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide is CC(C)C1Nc2ccccc2S(=O)(=O)N1.
What is the InChIKey of 3-propan-2-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is SJLUTZUOECMUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7(2)10-11-8-5-3-4-6-9(8)15(13,14)12-10/h3-7,10-12H,1-2H3.
What are the key properties of 3-propan-2-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
3-propan-2-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 226.30 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 22588810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).