4-benzyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine

C20H23NO2S — CID 2475510

IUPAC4-benzyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H23NO2S/c22-24(23,16-13-18-7-3-1-4-8-18)21-14-11-20(12-15-21)17-19-9-5-2-6-10-19/h1-10,13,16,20H,11-12,14-15,17H2/b16-13+
InChIKeyOLQOHLFQPURHNB-DTQAZKPQSA-N
MW341.48 g/mol
LogP3.94
Rot. Bonds5

About 4-benzyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine

4-benzyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine (PubChem CID 2475510) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is 4-benzyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine.

Molecular Properties

Compound Name4-benzyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine
PubChem CID2475510
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name4-benzyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H23NO2S/c22-24(23,16-13-18-7-3-1-4-8-18)21-14-11-20(12-15-21)17-19-9-5-2-6-10-19/h1-10,13,16,20H,11-12,14-15,17H2/b16-13+
InChIKeyOLQOHLFQPURHNB-DTQAZKPQSA-N
XLogP3.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine?
The IUPAC name of 4-benzyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine (CID 2475510) is 4-benzyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine.
What is the SMILES notation for 4-benzyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine?
The canonical SMILES for 4-benzyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine is O=S(=O)(/C=C/c1ccccc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine?
The InChIKey is OLQOHLFQPURHNB-DTQAZKPQSA-N. The full InChI is InChI=1S/C20H23NO2S/c22-24(23,16-13-18-7-3-1-4-8-18)21-14-11-20(12-15-21)17-19-9-5-2-6-10-19/h1-10,13,16,20H,11-12,14-15,17H2/b16-13+.
What are the key properties of 4-benzyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine?
4-benzyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine has a molecular weight of 341.48 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine is sourced from PubChem (CID 2475510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).