(2R,5S)-5-ethenyl-4-(4-methylphenyl)sulfonyl-2-phenylmorpholine

C19H21NO3S — CID 134945486

IUPAC(2R,5S)-5-ethenyl-4-(4-methylphenyl)sulfonyl-2-phenylmorpholine
SMILESC=C[C@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21NO3S/c1-3-17-14-23-19(16-7-5-4-6-8-16)13-20(17)24(21,22)18-11-9-15(2)10-12-18/h3-12,17,19H,1,13-14H2,2H3/t17-,19-/m0/s1
InChIKeyJSJIZZOGNMBERC-HKUYNNGSSA-N
MW343.45 g/mol
LogP3.31
Rot. Bonds4

About (2R,5S)-5-ethenyl-4-(4-methylphenyl)sulfonyl-2-phenylmorpholine

(2R,5S)-5-ethenyl-4-(4-methylphenyl)sulfonyl-2-phenylmorpholine (PubChem CID 134945486) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is (2R,5S)-5-ethenyl-4-(4-methylphenyl)sulfonyl-2-phenylmorpholine.

Molecular Properties

Compound Name(2R,5S)-5-ethenyl-4-(4-methylphenyl)sulfonyl-2-phenylmorpholine
PubChem CID134945486
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name(2R,5S)-5-ethenyl-4-(4-methylphenyl)sulfonyl-2-phenylmorpholine
SMILESC=C[C@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21NO3S/c1-3-17-14-23-19(16-7-5-4-6-8-16)13-20(17)24(21,22)18-11-9-15(2)10-12-18/h3-12,17,19H,1,13-14H2,2H3/t17-,19-/m0/s1
InChIKeyJSJIZZOGNMBERC-HKUYNNGSSA-N
XLogP3.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 4216489
2-benzyl-4-methylidene-3-(phenylmethoxymethyl)-3H-1lambda6,2-benzothiazine 1,1-dioxide
CID 16746524
(6R,7S)-6-methyl-5-[(4-methylphenyl)methyl]-7-phenyl-1,4,5-oxathiazepane 4,4-dioxide
CID 25011633
(1S,4S,7S)-5-methylidene-3-(4-methylphenyl)sulfonyl-4-(phenylmethoxymethyl)-3-azabicyclo[5.1.0]octane
CID 50919291
1,3-Oxazine, tetrahydro-3-((4-methylphenyl)sulfonyl)-6-(4-morpholinylmethyl)-2-phenyl-
CID 218558
6-(Methoxymethyl)-3-(4-methylbenzene-1-sulfonyl)-2-phenyl-1,3-oxazinane
CID 218606
4-fluoro-N-(2-(2-phenylmorpholino)ethyl)benzenesulfonamide
CID 16892685
2,4-difluoro-N-(4-(2-phenylmorpholino)butyl)benzenesulfonamide
CID 16892888
4-((2,5-Difluorophenyl)sulfonyl)-2-phenylmorpholine
CID 16895232
4-((2-Fluorophenyl)sulfonyl)-2-phenylmorpholine
CID 16895234
(6R,7S)-5-benzyl-6-methyl-7-phenyl-1,4,5-oxathiazepane 4,4-dioxide
CID 25011628
3-[Bis(4-fluorophenyl)methoxy]-8-(4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 44357565

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-ethenyl-4-(4-methylphenyl)sulfonyl-2-phenylmorpholine?
The IUPAC name of (2R,5S)-5-ethenyl-4-(4-methylphenyl)sulfonyl-2-phenylmorpholine (CID 134945486) is (2R,5S)-5-ethenyl-4-(4-methylphenyl)sulfonyl-2-phenylmorpholine.
What is the SMILES notation for (2R,5S)-5-ethenyl-4-(4-methylphenyl)sulfonyl-2-phenylmorpholine?
The canonical SMILES for (2R,5S)-5-ethenyl-4-(4-methylphenyl)sulfonyl-2-phenylmorpholine is C=C[C@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (2R,5S)-5-ethenyl-4-(4-methylphenyl)sulfonyl-2-phenylmorpholine?
The InChIKey is JSJIZZOGNMBERC-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-3-17-14-23-19(16-7-5-4-6-8-16)13-20(17)24(21,22)18-11-9-15(2)10-12-18/h3-12,17,19H,1,13-14H2,2H3/t17-,19-/m0/s1.
What are the key properties of (2R,5S)-5-ethenyl-4-(4-methylphenyl)sulfonyl-2-phenylmorpholine?
(2R,5S)-5-ethenyl-4-(4-methylphenyl)sulfonyl-2-phenylmorpholine has a molecular weight of 343.45 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-ethenyl-4-(4-methylphenyl)sulfonyl-2-phenylmorpholine is sourced from PubChem (CID 134945486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).