1-(benzenesulfonyl)-2-(1-phenylethenyl)piperidine

C19H21NO2S — CID 165347800

IUPAC1-(benzenesulfonyl)-2-(1-phenylethenyl)piperidine
SMILESC=C(c1ccccc1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H21NO2S/c1-16(17-10-4-2-5-11-17)19-14-8-9-15-20(19)23(21,22)18-12-6-3-7-13-18/h2-7,10-13,19H,1,8-9,14-15H2
InChIKeyOWMSDQFLAMOAJR-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.94
Rot. Bonds4

About 1-(benzenesulfonyl)-2-(1-phenylethenyl)piperidine

1-(benzenesulfonyl)-2-(1-phenylethenyl)piperidine (PubChem CID 165347800) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-(1-phenylethenyl)piperidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-(1-phenylethenyl)piperidine
PubChem CID165347800
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name1-(benzenesulfonyl)-2-(1-phenylethenyl)piperidine
SMILESC=C(c1ccccc1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H21NO2S/c1-16(17-10-4-2-5-11-17)19-14-8-9-15-20(19)23(21,22)18-12-6-3-7-13-18/h2-7,10-13,19H,1,8-9,14-15H2
InChIKeyOWMSDQFLAMOAJR-UHFFFAOYSA-N
XLogP3.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 7221204
1-(benzenesulfonyl)-N-cyclopentylpiperidine-2-carboxamide
CID 51159553
[4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone
CID 55567553
1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 23381612
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284
(4-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride
CID 119373052
(2-benzamido-2-oxoethyl) 1-(benzenesulfonyl)piperidine-2-carboxylate
CID 42973160
1-(benzenesulfonyl)pyrrolidine-2-carbohydrazide
CID 555761
methyl 1-(benzenesulfonyl)pyrrolidine-2-carboxylate
CID 610805
1-(benzenesulfonyl)-N-prop-2-ynylpiperidine-2-carboxamide
CID 46418890
1-(benzenesulfonyl)-2-(iodomethyl)piperidine
CID 71381040
(2R)-N-(4-benzamidocyclohexyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide
CID 24717448

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-(1-phenylethenyl)piperidine?
The IUPAC name of 1-(benzenesulfonyl)-2-(1-phenylethenyl)piperidine (CID 165347800) is 1-(benzenesulfonyl)-2-(1-phenylethenyl)piperidine.
What is the SMILES notation for 1-(benzenesulfonyl)-2-(1-phenylethenyl)piperidine?
The canonical SMILES for 1-(benzenesulfonyl)-2-(1-phenylethenyl)piperidine is C=C(c1ccccc1)C1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-(1-phenylethenyl)piperidine?
The InChIKey is OWMSDQFLAMOAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-16(17-10-4-2-5-11-17)19-14-8-9-15-20(19)23(21,22)18-12-6-3-7-13-18/h2-7,10-13,19H,1,8-9,14-15H2.
What are the key properties of 1-(benzenesulfonyl)-2-(1-phenylethenyl)piperidine?
1-(benzenesulfonyl)-2-(1-phenylethenyl)piperidine has a molecular weight of 327.45 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-(1-phenylethenyl)piperidine is sourced from PubChem (CID 165347800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).