(2S)-2-[(E)-3-(benzenesulfonyl)prop-2-enyl]piperidine

C14H19NO2S — CID 71714470

IUPAC(2S)-2-[(E)-3-(benzenesulfonyl)prop-2-enyl]piperidine
SMILESO=S(=O)(/C=C/C[C@@H]1CCCCN1)c1ccccc1
InChIInChI=1S/C14H19NO2S/c16-18(17,14-9-2-1-3-10-14)12-6-8-13-7-4-5-11-15-13/h1-3,6,9-10,12-13,15H,4-5,7-8,11H2/b12-6+/t13-/m0/s1
InChIKeyQXAKPACYQCDXKX-UWUHSAQLSA-N
MW265.38 g/mol
LogP2.51
Rot. Bonds4

About (2S)-2-[(E)-3-(benzenesulfonyl)prop-2-enyl]piperidine

(2S)-2-[(E)-3-(benzenesulfonyl)prop-2-enyl]piperidine (PubChem CID 71714470) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is (2S)-2-[(E)-3-(benzenesulfonyl)prop-2-enyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[(E)-3-(benzenesulfonyl)prop-2-enyl]piperidine
PubChem CID71714470
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name(2S)-2-[(E)-3-(benzenesulfonyl)prop-2-enyl]piperidine
SMILESO=S(=O)(/C=C/C[C@@H]1CCCCN1)c1ccccc1
InChIInChI=1S/C14H19NO2S/c16-18(17,14-9-2-1-3-10-14)12-6-8-13-7-4-5-11-15-13/h1-3,6,9-10,12-13,15H,4-5,7-8,11H2/b12-6+/t13-/m0/s1
InChIKeyQXAKPACYQCDXKX-UWUHSAQLSA-N
XLogP2.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[2-(benzenesulfonyl)ethyl]piperidine
CID 7061650
2-[2-(benzenesulfonyl)ethyl]piperidine;hydrochloride
CID 24747372
N-phenyl-1-piperidin-2-ylmethanesulfonamide
CID 54974221
2-[(E)-but-2-enyl]piperidine
CID 10261169
(2S)-2-[(E)-but-2-enyl]piperidine
CID 102286170
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608787
(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632
diphenyl-[[(2S)-piperidin-2-yl]methyl]phosphane
CID 101469589
1-phenyl-3-piperidin-2-ylpropan-2-one
CID 22237365
(1R)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788130
(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788131
2-[(3-phenylazetidin-1-yl)methyl]piperidine
CID 79677520

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(E)-3-(benzenesulfonyl)prop-2-enyl]piperidine?
The IUPAC name of (2S)-2-[(E)-3-(benzenesulfonyl)prop-2-enyl]piperidine (CID 71714470) is (2S)-2-[(E)-3-(benzenesulfonyl)prop-2-enyl]piperidine.
What is the SMILES notation for (2S)-2-[(E)-3-(benzenesulfonyl)prop-2-enyl]piperidine?
The canonical SMILES for (2S)-2-[(E)-3-(benzenesulfonyl)prop-2-enyl]piperidine is O=S(=O)(/C=C/C[C@@H]1CCCCN1)c1ccccc1.
What is the InChIKey of (2S)-2-[(E)-3-(benzenesulfonyl)prop-2-enyl]piperidine?
The InChIKey is QXAKPACYQCDXKX-UWUHSAQLSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-18(17,14-9-2-1-3-10-14)12-6-8-13-7-4-5-11-15-13/h1-3,6,9-10,12-13,15H,4-5,7-8,11H2/b12-6+/t13-/m0/s1.
What are the key properties of (2S)-2-[(E)-3-(benzenesulfonyl)prop-2-enyl]piperidine?
(2S)-2-[(E)-3-(benzenesulfonyl)prop-2-enyl]piperidine has a molecular weight of 265.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(E)-3-(benzenesulfonyl)prop-2-enyl]piperidine is sourced from PubChem (CID 71714470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).