(2E)-1-(4-methylphenyl)sulfonyl-2-(1-phenylethylidene)piperidine

C20H23NO2S — CID 134900724

IUPAC(2E)-1-(4-methylphenyl)sulfonyl-2-(1-phenylethylidene)piperidine
SMILESC/C(=C1/CCCCN1S(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C20H23NO2S/c1-16-11-13-19(14-12-16)24(22,23)21-15-7-6-10-20(21)17(2)18-8-4-3-5-9-18/h3-5,8-9,11-14H,6-7,10,15H2,1-2H3/b20-17+
InChIKeyJYLIJTNHMWDWHI-LVZFUZTISA-N
MW341.48 g/mol
LogP4.60
Rot. Bonds3

About (2E)-1-(4-methylphenyl)sulfonyl-2-(1-phenylethylidene)piperidine

(2E)-1-(4-methylphenyl)sulfonyl-2-(1-phenylethylidene)piperidine (PubChem CID 134900724) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is (2E)-1-(4-methylphenyl)sulfonyl-2-(1-phenylethylidene)piperidine.

Molecular Properties

Compound Name(2E)-1-(4-methylphenyl)sulfonyl-2-(1-phenylethylidene)piperidine
PubChem CID134900724
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name(2E)-1-(4-methylphenyl)sulfonyl-2-(1-phenylethylidene)piperidine
SMILESC/C(=C1/CCCCN1S(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C20H23NO2S/c1-16-11-13-19(14-12-16)24(22,23)21-15-7-6-10-20(21)17(2)18-8-4-3-5-9-18/h3-5,8-9,11-14H,6-7,10,15H2,1-2H3/b20-17+
InChIKeyJYLIJTNHMWDWHI-LVZFUZTISA-N
XLogP4.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine, 1-(p-tolylsulfonyl)-
CID 78431
Isoquinoline, 1,2,3,4-tetrahydro-2-(p-tolylsulfonyl)-
CID 276460
N,3-Dimethyl-N-((1R)-1-methyl-3-(4-methyl-1-piperidinyl)propyl)benzenesulfonamide
CID 5312148
1'-((4-Methylphenyl)sulfonyl)spiro(1H-indene-1,4'-piperidine)
CID 9797987
N-methyl-N-[2-phenyl-4-(4-phenyl-1-piperidyl)butyl]benzenesulfonamide
CID 478308
3-Methyl-1-[(4-methylphenyl)sulfonyl]piperidine
CID 2842402
4-Methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 2911561
Ditolamide
CID 208847
N-Benzyl-N-isopropyl-4-methyl-benzenesulfonamide
CID 668963
1-(2-Phenylethyl)-4-(phenylsulfonyl)piperazine
CID 6467663
1H-3-Benzazepine,2,3,4,5-tetrahydro-3-[(4-methylphenyl)sulfonyl]-
CID 260976
1-(Benzenesulfonyl)-4-benzylpiperidine
CID 727417

Frequently Asked Questions

What is the IUPAC name of (2E)-1-(4-methylphenyl)sulfonyl-2-(1-phenylethylidene)piperidine?
The IUPAC name of (2E)-1-(4-methylphenyl)sulfonyl-2-(1-phenylethylidene)piperidine (CID 134900724) is (2E)-1-(4-methylphenyl)sulfonyl-2-(1-phenylethylidene)piperidine.
What is the SMILES notation for (2E)-1-(4-methylphenyl)sulfonyl-2-(1-phenylethylidene)piperidine?
The canonical SMILES for (2E)-1-(4-methylphenyl)sulfonyl-2-(1-phenylethylidene)piperidine is C/C(=C1/CCCCN1S(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of (2E)-1-(4-methylphenyl)sulfonyl-2-(1-phenylethylidene)piperidine?
The InChIKey is JYLIJTNHMWDWHI-LVZFUZTISA-N. The full InChI is InChI=1S/C20H23NO2S/c1-16-11-13-19(14-12-16)24(22,23)21-15-7-6-10-20(21)17(2)18-8-4-3-5-9-18/h3-5,8-9,11-14H,6-7,10,15H2,1-2H3/b20-17+.
What are the key properties of (2E)-1-(4-methylphenyl)sulfonyl-2-(1-phenylethylidene)piperidine?
(2E)-1-(4-methylphenyl)sulfonyl-2-(1-phenylethylidene)piperidine has a molecular weight of 341.48 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(4-methylphenyl)sulfonyl-2-(1-phenylethylidene)piperidine is sourced from PubChem (CID 134900724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).