3-benzyl-4-phenyloxathiazinane 2,2-dioxide

C16H17NO3S — CID 24761763

IUPAC3-benzyl-4-phenyloxathiazinane 2,2-dioxide
SMILESO=S1(=O)OCCC(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C16H17NO3S/c18-21(19)17(13-14-7-3-1-4-8-14)16(11-12-20-21)15-9-5-2-6-10-15/h1-10,16H,11-13H2
InChIKeyARADHKZLFNBHPK-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.89
Rot. Bonds3

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

3-benzyl-4-phenyloxathiazinane 2,2-dioxide (PubChem CID 24761763) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 3-benzyl-4-phenyloxathiazinane 2,2-dioxide.

Molecular Properties

Compound Name3-benzyl-4-phenyloxathiazinane 2,2-dioxide
PubChem CID24761763
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name3-benzyl-4-phenyloxathiazinane 2,2-dioxide
SMILESO=S1(=O)OCCC(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C16H17NO3S/c18-21(19)17(13-14-7-3-1-4-8-14)16(11-12-20-21)15-9-5-2-6-10-15/h1-10,16H,11-13H2
InChIKeyARADHKZLFNBHPK-UHFFFAOYSA-N
XLogP2.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-phenyloxathiazinane 2,2-dioxide?
The IUPAC name of 3-benzyl-4-phenyloxathiazinane 2,2-dioxide (CID 24761763) is 3-benzyl-4-phenyloxathiazinane 2,2-dioxide.
What is the SMILES notation for 3-benzyl-4-phenyloxathiazinane 2,2-dioxide?
The canonical SMILES for 3-benzyl-4-phenyloxathiazinane 2,2-dioxide is O=S1(=O)OCCC(c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-phenyloxathiazinane 2,2-dioxide?
The InChIKey is ARADHKZLFNBHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-21(19)17(13-14-7-3-1-4-8-14)16(11-12-20-21)15-9-5-2-6-10-15/h1-10,16H,11-13H2.
What are the key properties of 3-benzyl-4-phenyloxathiazinane 2,2-dioxide?
3-benzyl-4-phenyloxathiazinane 2,2-dioxide has a molecular weight of 303.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-phenyloxathiazinane 2,2-dioxide is sourced from PubChem (CID 24761763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).