3-ethenyl-5-methyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine

C15H19NO2S — CID 102224159

IUPAC3-ethenyl-5-methyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine
SMILESC=CC1C=C(C)CN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C15H19NO2S/c1-4-14-9-13(3)10-16(11-14)19(17,18)15-7-5-12(2)6-8-15/h4-9,14H,1,10-11H2,2-3H3
InChIKeyPTXWNYXWJRSOCT-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.75
Rot. Bonds3

About 3-ethenyl-5-methyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine

3-ethenyl-5-methyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine (PubChem CID 102224159) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-ethenyl-5-methyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name3-ethenyl-5-methyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine
PubChem CID102224159
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name3-ethenyl-5-methyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine
SMILESC=CC1C=C(C)CN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C15H19NO2S/c1-4-14-9-13(3)10-16(11-14)19(17,18)15-7-5-12(2)6-8-15/h4-9,14H,1,10-11H2,2-3H3
InChIKeyPTXWNYXWJRSOCT-UHFFFAOYSA-N
XLogP2.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-benzylidene-4-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 11209974
(5R)-5-ethenyl-8-methyl-3-(4-methylphenyl)sulfonyl-1,2,4,5-tetrahydro-3-benzazepine
CID 102197856
(3Z)-3-ethylidene-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 102470768
1-[3-ethenyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]ethanone
CID 25149966
(1E,8E)-6,13-bis-(4-methylphenyl)sulfonyl-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1,8-diene
CID 12983128
4-bromo-1-(4-methylphenyl)sulfonylpyrrolidin-3-one;ethane
CID 143616504
3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 14174967
5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-one
CID 13015124
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
(5S)-5-ethenyl-7,8-dimethyl-3-(4-methylphenyl)sulfonyl-1,2,4,5-tetrahydro-3-benzazepine
CID 102197851
(4aR,7aS)-4-methylidene-2-(4-methylphenyl)sulfonyl-3,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridine
CID 139037679
(3Z)-3-(cyclopropylmethylidene)-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 134847900

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-methyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 3-ethenyl-5-methyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine (CID 102224159) is 3-ethenyl-5-methyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 3-ethenyl-5-methyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 3-ethenyl-5-methyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine is C=CC1C=C(C)CN(S(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of 3-ethenyl-5-methyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine?
The InChIKey is PTXWNYXWJRSOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-4-14-9-13(3)10-16(11-14)19(17,18)15-7-5-12(2)6-8-15/h4-9,14H,1,10-11H2,2-3H3.
What are the key properties of 3-ethenyl-5-methyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine?
3-ethenyl-5-methyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine has a molecular weight of 277.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-methyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 102224159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).