2-[2-(benzenesulfonyl)ethyl]piperidine;hydrochloride

C13H20ClNO2S — CID 24747372

IUPAC2-[2-(benzenesulfonyl)ethyl]piperidine;hydrochloride
SMILESCl.O=S(=O)(CCC1CCCCN1)c1ccccc1
InChIInChI=1S/C13H19NO2S.ClH/c15-17(16,13-7-2-1-3-8-13)11-9-12-6-4-5-10-14-12;/h1-3,7-8,12,14H,4-6,9-11H2;1H
InChIKeyFJFJGTRBADYNMP-UHFFFAOYSA-N
MW289.83 g/mol
LogP2.41
Rot. Bonds4

About 2-[2-(benzenesulfonyl)ethyl]piperidine;hydrochloride

2-[2-(benzenesulfonyl)ethyl]piperidine;hydrochloride (PubChem CID 24747372) has the molecular formula C13H20ClNO2S and a molecular weight of 289.83 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)ethyl]piperidine;hydrochloride
PubChem CID24747372
Molecular FormulaC13H20ClNO2S
Molecular Weight289.83 g/mol
Exact Mass289.09
IUPAC Name2-[2-(benzenesulfonyl)ethyl]piperidine;hydrochloride
SMILESCl.O=S(=O)(CCC1CCCCN1)c1ccccc1
InChIInChI=1S/C13H19NO2S.ClH/c15-17(16,13-7-2-1-3-8-13)11-9-12-6-4-5-10-14-12;/h1-3,7-8,12,14H,4-6,9-11H2;1H
InChIKeyFJFJGTRBADYNMP-UHFFFAOYSA-N
XLogP2.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[2-(benzenesulfonyl)ethyl]piperidine
CID 7061650
2-[2-(4-bromophenyl)sulfonylethyl]piperidine
CID 134086037
2-[2-(2-chlorophenyl)sulfonylethyl]piperidine
CID 112741660
2-[3-(4-fluorophenyl)sulfonylpropyl]pyrrolidine
CID 112741662
(2S)-2-[(E)-3-(benzenesulfonyl)prop-2-enyl]piperidine
CID 71714470
N-(2-methylsulfanylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 107642155
(2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine
CID 97301336
N-phenyl-1-piperidin-2-ylmethanesulfonamide
CID 54974221
4-propylsulfonyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline
CID 104973347
N-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide
CID 60865299
(2R)-2-(2-propan-2-ylsulfonylethyl)piperidine
CID 28708555
2-(2-phenylsulfanylethyl)azepane
CID 79223210

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)ethyl]piperidine;hydrochloride?
The IUPAC name of 2-[2-(benzenesulfonyl)ethyl]piperidine;hydrochloride (CID 24747372) is 2-[2-(benzenesulfonyl)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 2-[2-(benzenesulfonyl)ethyl]piperidine;hydrochloride?
The canonical SMILES for 2-[2-(benzenesulfonyl)ethyl]piperidine;hydrochloride is Cl.O=S(=O)(CCC1CCCCN1)c1ccccc1.
What is the InChIKey of 2-[2-(benzenesulfonyl)ethyl]piperidine;hydrochloride?
The InChIKey is FJFJGTRBADYNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S.ClH/c15-17(16,13-7-2-1-3-8-13)11-9-12-6-4-5-10-14-12;/h1-3,7-8,12,14H,4-6,9-11H2;1H.
What are the key properties of 2-[2-(benzenesulfonyl)ethyl]piperidine;hydrochloride?
2-[2-(benzenesulfonyl)ethyl]piperidine;hydrochloride has a molecular weight of 289.83 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)ethyl]piperidine;hydrochloride is sourced from PubChem (CID 24747372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).