5-benzyl-4-prop-2-enyloxathiazinane 2,2-dioxide

C13H17NO3S — CID 24761710

IUPAC5-benzyl-4-prop-2-enyloxathiazinane 2,2-dioxide
SMILESC=CCC1NS(=O)(=O)OCC1Cc1ccccc1
InChIInChI=1S/C13H17NO3S/c1-2-6-13-12(10-17-18(15,16)14-13)9-11-7-4-3-5-8-11/h2-5,7-8,12-14H,1,6,9-10H2
InChIKeySAKNGEBUOGYFFY-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.65
Rot. Bonds4

About 5-benzyl-4-prop-2-enyloxathiazinane 2,2-dioxide

5-benzyl-4-prop-2-enyloxathiazinane 2,2-dioxide (PubChem CID 24761710) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 5-benzyl-4-prop-2-enyloxathiazinane 2,2-dioxide.

Molecular Properties

Compound Name5-benzyl-4-prop-2-enyloxathiazinane 2,2-dioxide
PubChem CID24761710
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name5-benzyl-4-prop-2-enyloxathiazinane 2,2-dioxide
SMILESC=CCC1NS(=O)(=O)OCC1Cc1ccccc1
InChIInChI=1S/C13H17NO3S/c1-2-6-13-12(10-17-18(15,16)14-13)9-11-7-4-3-5-8-11/h2-5,7-8,12-14H,1,6,9-10H2
InChIKeySAKNGEBUOGYFFY-UHFFFAOYSA-N
XLogP1.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-prop-2-enyloxathiazinane 2,2-dioxide?
The IUPAC name of 5-benzyl-4-prop-2-enyloxathiazinane 2,2-dioxide (CID 24761710) is 5-benzyl-4-prop-2-enyloxathiazinane 2,2-dioxide.
What is the SMILES notation for 5-benzyl-4-prop-2-enyloxathiazinane 2,2-dioxide?
The canonical SMILES for 5-benzyl-4-prop-2-enyloxathiazinane 2,2-dioxide is C=CCC1NS(=O)(=O)OCC1Cc1ccccc1.
What is the InChIKey of 5-benzyl-4-prop-2-enyloxathiazinane 2,2-dioxide?
The InChIKey is SAKNGEBUOGYFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-2-6-13-12(10-17-18(15,16)14-13)9-11-7-4-3-5-8-11/h2-5,7-8,12-14H,1,6,9-10H2.
What are the key properties of 5-benzyl-4-prop-2-enyloxathiazinane 2,2-dioxide?
5-benzyl-4-prop-2-enyloxathiazinane 2,2-dioxide has a molecular weight of 267.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-prop-2-enyloxathiazinane 2,2-dioxide is sourced from PubChem (CID 24761710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).