6-methyl-4-phenyloxathiazinane 2,2-dioxide

C10H13NO3S — CID 24761743

IUPAC6-methyl-4-phenyloxathiazinane 2,2-dioxide
SMILESCC1CC(c2ccccc2)NS(=O)(=O)O1
InChIInChI=1S/C10H13NO3S/c1-8-7-10(11-15(12,13)14-8)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3
InChIKeyVJBANFJMOILXST-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.37
Rot. Bonds1

About 6-methyl-4-phenyloxathiazinane 2,2-dioxide

6-methyl-4-phenyloxathiazinane 2,2-dioxide (PubChem CID 24761743) has the molecular formula C10H13NO3S and a molecular weight of 227.29 g/mol. Its IUPAC name is 6-methyl-4-phenyloxathiazinane 2,2-dioxide.

Molecular Properties

Compound Name6-methyl-4-phenyloxathiazinane 2,2-dioxide
PubChem CID24761743
Molecular FormulaC10H13NO3S
Molecular Weight227.29 g/mol
Exact Mass227.06
IUPAC Name6-methyl-4-phenyloxathiazinane 2,2-dioxide
SMILESCC1CC(c2ccccc2)NS(=O)(=O)O1
InChIInChI=1S/C10H13NO3S/c1-8-7-10(11-15(12,13)14-8)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3
InChIKeyVJBANFJMOILXST-UHFFFAOYSA-N
XLogP1.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-phenyloxathiazinane 2,2-dioxide?
The IUPAC name of 6-methyl-4-phenyloxathiazinane 2,2-dioxide (CID 24761743) is 6-methyl-4-phenyloxathiazinane 2,2-dioxide.
What is the SMILES notation for 6-methyl-4-phenyloxathiazinane 2,2-dioxide?
The canonical SMILES for 6-methyl-4-phenyloxathiazinane 2,2-dioxide is CC1CC(c2ccccc2)NS(=O)(=O)O1.
What is the InChIKey of 6-methyl-4-phenyloxathiazinane 2,2-dioxide?
The InChIKey is VJBANFJMOILXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-8-7-10(11-15(12,13)14-8)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3.
What are the key properties of 6-methyl-4-phenyloxathiazinane 2,2-dioxide?
6-methyl-4-phenyloxathiazinane 2,2-dioxide has a molecular weight of 227.29 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-phenyloxathiazinane 2,2-dioxide is sourced from PubChem (CID 24761743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).