6-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide

C8H7NO3S — CID 132511405

IUPAC6-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESCc1ccc2c(c1)C=NS(=O)(=O)O2
InChIInChI=1S/C8H7NO3S/c1-6-2-3-8-7(4-6)5-9-13(10,11)12-8/h2-5H,1H3
InChIKeyPKVLIZWFWZAIQC-UHFFFAOYSA-N
MW197.22 g/mol
LogP1.05
Rot. Bonds

About 6-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide

6-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide (PubChem CID 132511405) has the molecular formula C8H7NO3S and a molecular weight of 197.22 g/mol. Its IUPAC name is 6-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide.

Molecular Properties

Compound Name6-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide
PubChem CID132511405
Molecular FormulaC8H7NO3S
Molecular Weight197.22 g/mol
Exact Mass197.01
IUPAC Name6-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESCc1ccc2c(c1)C=NS(=O)(=O)O2
InChIInChI=1S/C8H7NO3S/c1-6-2-3-8-7(4-6)5-9-13(10,11)12-8/h2-5H,1H3
InChIKeyPKVLIZWFWZAIQC-UHFFFAOYSA-N
XLogP1.05
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The IUPAC name of 6-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide (CID 132511405) is 6-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide.
What is the SMILES notation for 6-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The canonical SMILES for 6-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide is Cc1ccc2c(c1)C=NS(=O)(=O)O2.
What is the InChIKey of 6-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The InChIKey is PKVLIZWFWZAIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3S/c1-6-2-3-8-7(4-6)5-9-13(10,11)12-8/h2-5H,1H3.
What are the key properties of 6-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide?
6-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide has a molecular weight of 197.22 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide is sourced from PubChem (CID 132511405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).