(2S)-2-[2-(benzenesulfonyl)ethyl]piperidine

C13H19NO2S — CID 7061650

IUPAC(2S)-2-[2-(benzenesulfonyl)ethyl]piperidine
SMILESO=S(=O)(CC[C@@H]1CCCCN1)c1ccccc1
InChIInChI=1S/C13H19NO2S/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/t12-/m0/s1
InChIKeyACPAJXSEQAMCLG-LBPRGKRZSA-N
MW253.37 g/mol
LogP1.99
Rot. Bonds4

About (2S)-2-[2-(benzenesulfonyl)ethyl]piperidine

(2S)-2-[2-(benzenesulfonyl)ethyl]piperidine (PubChem CID 7061650) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is (2S)-2-[2-(benzenesulfonyl)ethyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[2-(benzenesulfonyl)ethyl]piperidine
PubChem CID7061650
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name(2S)-2-[2-(benzenesulfonyl)ethyl]piperidine
SMILESO=S(=O)(CC[C@@H]1CCCCN1)c1ccccc1
InChIInChI=1S/C13H19NO2S/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/t12-/m0/s1
InChIKeyACPAJXSEQAMCLG-LBPRGKRZSA-N
XLogP1.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(benzenesulfonyl)ethyl]piperidine;hydrochloride
CID 24747372
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 (2S)-2-[2-(benzenesulfonyl)ethyl]piperidine?
The IUPAC name of (2S)-2-[2-(benzenesulfonyl)ethyl]piperidine (CID 7061650) is (2S)-2-[2-(benzenesulfonyl)ethyl]piperidine.
What is the SMILES notation for (2S)-2-[2-(benzenesulfonyl)ethyl]piperidine?
The canonical SMILES for (2S)-2-[2-(benzenesulfonyl)ethyl]piperidine is O=S(=O)(CC[C@@H]1CCCCN1)c1ccccc1.
What is the InChIKey of (2S)-2-[2-(benzenesulfonyl)ethyl]piperidine?
The InChIKey is ACPAJXSEQAMCLG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO2S/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/t12-/m0/s1.
What are the key properties of (2S)-2-[2-(benzenesulfonyl)ethyl]piperidine?
(2S)-2-[2-(benzenesulfonyl)ethyl]piperidine has a molecular weight of 253.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(benzenesulfonyl)ethyl]piperidine is sourced from PubChem (CID 7061650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).