(4R,5S)-5-methyl-4-phenyloxathiazinane 2,2-dioxide

C10H13NO3S — CID 91862961

IUPAC(4R,5S)-5-methyl-4-phenyloxathiazinane 2,2-dioxide
SMILESC[C@@H]1COS(=O)(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C10H13NO3S/c1-8-7-14-15(12,13)11-10(8)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3/t8-,10-/m1/s1
InChIKeyDMOOERGOGUIETL-PSASIEDQSA-N
MW227.28 g/mol
LogP1.23
Rot. Bonds1

About (4R,5S)-5-methyl-4-phenyloxathiazinane 2,2-dioxide

(4R,5S)-5-methyl-4-phenyloxathiazinane 2,2-dioxide (PubChem CID 91862961) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is (4R,5S)-5-methyl-4-phenyloxathiazinane 2,2-dioxide.

Molecular Properties

Compound Name(4R,5S)-5-methyl-4-phenyloxathiazinane 2,2-dioxide
PubChem CID91862961
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name(4R,5S)-5-methyl-4-phenyloxathiazinane 2,2-dioxide
SMILESC[C@@H]1COS(=O)(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C10H13NO3S/c1-8-7-14-15(12,13)11-10(8)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3/t8-,10-/m1/s1
InChIKeyDMOOERGOGUIETL-PSASIEDQSA-N
XLogP1.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-methyl-4-phenyloxathiazinane 2,2-dioxide?
The IUPAC name of (4R,5S)-5-methyl-4-phenyloxathiazinane 2,2-dioxide (CID 91862961) is (4R,5S)-5-methyl-4-phenyloxathiazinane 2,2-dioxide.
What is the SMILES notation for (4R,5S)-5-methyl-4-phenyloxathiazinane 2,2-dioxide?
The canonical SMILES for (4R,5S)-5-methyl-4-phenyloxathiazinane 2,2-dioxide is C[C@@H]1COS(=O)(=O)N[C@H]1c1ccccc1.
What is the InChIKey of (4R,5S)-5-methyl-4-phenyloxathiazinane 2,2-dioxide?
The InChIKey is DMOOERGOGUIETL-PSASIEDQSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-8-7-14-15(12,13)11-10(8)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3/t8-,10-/m1/s1.
What are the key properties of (4R,5S)-5-methyl-4-phenyloxathiazinane 2,2-dioxide?
(4R,5S)-5-methyl-4-phenyloxathiazinane 2,2-dioxide has a molecular weight of 227.28 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-methyl-4-phenyloxathiazinane 2,2-dioxide is sourced from PubChem (CID 91862961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).