7-methyl-3-(oxan-4-yl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C13H18N2O3S — CID 169226849

IUPAC7-methyl-3-(oxan-4-yl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCc1ccc2c(c1)S(=O)(=O)NC(C1CCOCC1)N2
InChIInChI=1S/C13H18N2O3S/c1-9-2-3-11-12(8-9)19(16,17)15-13(14-11)10-4-6-18-7-5-10/h2-3,8,10,13-15H,4-7H2,1H3
InChIKeyZPRSMGVQKKPBAA-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.45
Rot. Bonds1

About 7-methyl-3-(oxan-4-yl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide

7-methyl-3-(oxan-4-yl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 169226849) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 7-methyl-3-(oxan-4-yl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-methyl-3-(oxan-4-yl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID169226849
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name7-methyl-3-(oxan-4-yl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCc1ccc2c(c1)S(=O)(=O)NC(C1CCOCC1)N2
InChIInChI=1S/C13H18N2O3S/c1-9-2-3-11-12(8-9)19(16,17)15-13(14-11)10-4-6-18-7-5-10/h2-3,8,10,13-15H,4-7H2,1H3
InChIKeyZPRSMGVQKKPBAA-UHFFFAOYSA-N
XLogP1.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(oxan-4-yl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 7-methyl-3-(oxan-4-yl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 169226849) is 7-methyl-3-(oxan-4-yl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 7-methyl-3-(oxan-4-yl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 7-methyl-3-(oxan-4-yl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide is Cc1ccc2c(c1)S(=O)(=O)NC(C1CCOCC1)N2.
What is the InChIKey of 7-methyl-3-(oxan-4-yl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is ZPRSMGVQKKPBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9-2-3-11-12(8-9)19(16,17)15-13(14-11)10-4-6-18-7-5-10/h2-3,8,10,13-15H,4-7H2,1H3.
What are the key properties of 7-methyl-3-(oxan-4-yl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
7-methyl-3-(oxan-4-yl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 282.36 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(oxan-4-yl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 169226849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).