6-(2-phenylethyl)-4-propyloxathiazinane 2,2-dioxide

C14H21NO3S — CID 24762016

IUPAC6-(2-phenylethyl)-4-propyloxathiazinane 2,2-dioxide
SMILESCCCC1CC(CCc2ccccc2)OS(=O)(=O)N1
InChIInChI=1S/C14H21NO3S/c1-2-6-13-11-14(18-19(16,17)15-13)10-9-12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3
InChIKeyAYVWXRFADLUDLW-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.41
Rot. Bonds5

About 6-(2-phenylethyl)-4-propyloxathiazinane 2,2-dioxide

6-(2-phenylethyl)-4-propyloxathiazinane 2,2-dioxide (PubChem CID 24762016) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 6-(2-phenylethyl)-4-propyloxathiazinane 2,2-dioxide.

Molecular Properties

Compound Name6-(2-phenylethyl)-4-propyloxathiazinane 2,2-dioxide
PubChem CID24762016
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name6-(2-phenylethyl)-4-propyloxathiazinane 2,2-dioxide
SMILESCCCC1CC(CCc2ccccc2)OS(=O)(=O)N1
InChIInChI=1S/C14H21NO3S/c1-2-6-13-11-14(18-19(16,17)15-13)10-9-12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3
InChIKeyAYVWXRFADLUDLW-UHFFFAOYSA-N
XLogP2.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethyl)-4-propyloxathiazinane 2,2-dioxide?
The IUPAC name of 6-(2-phenylethyl)-4-propyloxathiazinane 2,2-dioxide (CID 24762016) is 6-(2-phenylethyl)-4-propyloxathiazinane 2,2-dioxide.
What is the SMILES notation for 6-(2-phenylethyl)-4-propyloxathiazinane 2,2-dioxide?
The canonical SMILES for 6-(2-phenylethyl)-4-propyloxathiazinane 2,2-dioxide is CCCC1CC(CCc2ccccc2)OS(=O)(=O)N1.
What is the InChIKey of 6-(2-phenylethyl)-4-propyloxathiazinane 2,2-dioxide?
The InChIKey is AYVWXRFADLUDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-2-6-13-11-14(18-19(16,17)15-13)10-9-12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3.
What are the key properties of 6-(2-phenylethyl)-4-propyloxathiazinane 2,2-dioxide?
6-(2-phenylethyl)-4-propyloxathiazinane 2,2-dioxide has a molecular weight of 283.39 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethyl)-4-propyloxathiazinane 2,2-dioxide is sourced from PubChem (CID 24762016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).