(2S)-2-ethenyl-4-(4-methylphenyl)sulfonyl-6-phenyl-2,3-dihydro-1,4-oxazine

C19H19NO3S — CID 138964363

IUPAC(2S)-2-ethenyl-4-(4-methylphenyl)sulfonyl-6-phenyl-2,3-dihydro-1,4-oxazine
SMILESC=C[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)C=C(c2ccccc2)O1
InChIInChI=1S/C19H19NO3S/c1-3-17-13-20(14-19(23-17)16-7-5-4-6-8-16)24(21,22)18-11-9-15(2)10-12-18/h3-12,14,17H,1,13H2,2H3/t17-/m0/s1
InChIKeyIAMLSFCJQNUCKM-KRWDZBQOSA-N
MW341.43 g/mol
LogP3.57
Rot. Bonds4

About (2S)-2-ethenyl-4-(4-methylphenyl)sulfonyl-6-phenyl-2,3-dihydro-1,4-oxazine

(2S)-2-ethenyl-4-(4-methylphenyl)sulfonyl-6-phenyl-2,3-dihydro-1,4-oxazine (PubChem CID 138964363) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is (2S)-2-ethenyl-4-(4-methylphenyl)sulfonyl-6-phenyl-2,3-dihydro-1,4-oxazine.

Molecular Properties

Compound Name(2S)-2-ethenyl-4-(4-methylphenyl)sulfonyl-6-phenyl-2,3-dihydro-1,4-oxazine
PubChem CID138964363
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC Name(2S)-2-ethenyl-4-(4-methylphenyl)sulfonyl-6-phenyl-2,3-dihydro-1,4-oxazine
SMILESC=C[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)C=C(c2ccccc2)O1
InChIInChI=1S/C19H19NO3S/c1-3-17-13-20(14-19(23-17)16-7-5-4-6-8-16)24(21,22)18-11-9-15(2)10-12-18/h3-12,14,17H,1,13H2,2H3/t17-/m0/s1
InChIKeyIAMLSFCJQNUCKM-KRWDZBQOSA-N
XLogP3.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.57
H-Bond Donors ≤ 50
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 (2S)-2-ethenyl-4-(4-methylphenyl)sulfonyl-6-phenyl-2,3-dihydro-1,4-oxazine?
The IUPAC name of (2S)-2-ethenyl-4-(4-methylphenyl)sulfonyl-6-phenyl-2,3-dihydro-1,4-oxazine (CID 138964363) is (2S)-2-ethenyl-4-(4-methylphenyl)sulfonyl-6-phenyl-2,3-dihydro-1,4-oxazine.
What is the SMILES notation for (2S)-2-ethenyl-4-(4-methylphenyl)sulfonyl-6-phenyl-2,3-dihydro-1,4-oxazine?
The canonical SMILES for (2S)-2-ethenyl-4-(4-methylphenyl)sulfonyl-6-phenyl-2,3-dihydro-1,4-oxazine is C=C[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)C=C(c2ccccc2)O1.
What is the InChIKey of (2S)-2-ethenyl-4-(4-methylphenyl)sulfonyl-6-phenyl-2,3-dihydro-1,4-oxazine?
The InChIKey is IAMLSFCJQNUCKM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-3-17-13-20(14-19(23-17)16-7-5-4-6-8-16)24(21,22)18-11-9-15(2)10-12-18/h3-12,14,17H,1,13H2,2H3/t17-/m0/s1.
What are the key properties of (2S)-2-ethenyl-4-(4-methylphenyl)sulfonyl-6-phenyl-2,3-dihydro-1,4-oxazine?
(2S)-2-ethenyl-4-(4-methylphenyl)sulfonyl-6-phenyl-2,3-dihydro-1,4-oxazine has a molecular weight of 341.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethenyl-4-(4-methylphenyl)sulfonyl-6-phenyl-2,3-dihydro-1,4-oxazine is sourced from PubChem (CID 138964363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).