3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazinane

C17H19NO3S — CID 46707965

IUPAC3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazinane
SMILESCc1ccc(S(=O)(=O)N2CCCOC2c2ccccc2)cc1
InChIInChI=1S/C17H19NO3S/c1-14-8-10-16(11-9-14)22(19,20)18-12-5-13-21-17(18)15-6-3-2-4-7-15/h2-4,6-11,17H,5,12-13H2,1H3
InChIKeyAXHCQUUOABDYNM-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.10
Rot. Bonds3

About 3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazinane

3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazinane (PubChem CID 46707965) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazinane.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazinane
PubChem CID46707965
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazinane
SMILESCc1ccc(S(=O)(=O)N2CCCOC2c2ccccc2)cc1
InChIInChI=1S/C17H19NO3S/c1-14-8-10-16(11-9-14)22(19,20)18-12-5-13-21-17(18)15-6-3-2-4-7-15/h2-4,6-11,17H,5,12-13H2,1H3
InChIKeyAXHCQUUOABDYNM-UHFFFAOYSA-N
XLogP3.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinane
CID 110739862
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CID 6979389
(3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine
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(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
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(2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
CID 102473250
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine
CID 10967742
1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidin-3-one
CID 86002564
(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol
CID 11067091
(2R,3S)-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine-3-carboxamide
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(2S,6R)-3-(4-methylphenyl)sulfonyl-6-phenyl-2-propyl-1,3-oxazinane
CID 102081459

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazinane?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazinane (CID 46707965) is 3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazinane.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazinane?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazinane is Cc1ccc(S(=O)(=O)N2CCCOC2c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazinane?
The InChIKey is AXHCQUUOABDYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-14-8-10-16(11-9-14)22(19,20)18-12-5-13-21-17(18)15-6-3-2-4-7-15/h2-4,6-11,17H,5,12-13H2,1H3.
What are the key properties of 3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazinane?
3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazinane has a molecular weight of 317.41 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazinane is sourced from PubChem (CID 46707965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).