3-methyl-4-phenyloxathiazinane 2,2-dioxide

C10H13NO3S — CID 24761703

IUPAC3-methyl-4-phenyloxathiazinane 2,2-dioxide
SMILESCN1C(c2ccccc2)CCOS1(=O)=O
InChIInChI=1S/C10H13NO3S/c1-11-10(7-8-14-15(11,12)13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyBLSSWNPSFQMEMT-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.32
Rot. Bonds1

About 3-methyl-4-phenyloxathiazinane 2,2-dioxide

3-methyl-4-phenyloxathiazinane 2,2-dioxide (PubChem CID 24761703) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-methyl-4-phenyloxathiazinane 2,2-dioxide.

Molecular Properties

Compound Name3-methyl-4-phenyloxathiazinane 2,2-dioxide
PubChem CID24761703
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name3-methyl-4-phenyloxathiazinane 2,2-dioxide
SMILESCN1C(c2ccccc2)CCOS1(=O)=O
InChIInChI=1S/C10H13NO3S/c1-11-10(7-8-14-15(11,12)13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyBLSSWNPSFQMEMT-UHFFFAOYSA-N
XLogP1.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenyloxathiazinane 2,2-dioxide?
The IUPAC name of 3-methyl-4-phenyloxathiazinane 2,2-dioxide (CID 24761703) is 3-methyl-4-phenyloxathiazinane 2,2-dioxide.
What is the SMILES notation for 3-methyl-4-phenyloxathiazinane 2,2-dioxide?
The canonical SMILES for 3-methyl-4-phenyloxathiazinane 2,2-dioxide is CN1C(c2ccccc2)CCOS1(=O)=O.
What is the InChIKey of 3-methyl-4-phenyloxathiazinane 2,2-dioxide?
The InChIKey is BLSSWNPSFQMEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-11-10(7-8-14-15(11,12)13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3.
What are the key properties of 3-methyl-4-phenyloxathiazinane 2,2-dioxide?
3-methyl-4-phenyloxathiazinane 2,2-dioxide has a molecular weight of 227.28 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenyloxathiazinane 2,2-dioxide is sourced from PubChem (CID 24761703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).