1-[2-(benzenesulfonyl)ethyl]piperidine

C13H19NO2S — CID 786875

IUPAC1-[2-(benzenesulfonyl)ethyl]piperidine
SMILESO=S(=O)(CCN1CCCCC1)c1ccccc1
InChIInChI=1S/C13H19NO2S/c15-17(16,13-7-3-1-4-8-13)12-11-14-9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-12H2
InChIKeyDFPJBDGZXJEILK-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.95
Rot. Bonds4

About 1-[2-(benzenesulfonyl)ethyl]piperidine

1-[2-(benzenesulfonyl)ethyl]piperidine (PubChem CID 786875) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[2-(benzenesulfonyl)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(benzenesulfonyl)ethyl]piperidine
PubChem CID786875
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-[2-(benzenesulfonyl)ethyl]piperidine
SMILESO=S(=O)(CCN1CCCCC1)c1ccccc1
InChIInChI=1S/C13H19NO2S/c15-17(16,13-7-3-1-4-8-13)12-11-14-9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-12H2
InChIKeyDFPJBDGZXJEILK-UHFFFAOYSA-N
XLogP1.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonyl)ethyl]piperidine?
The IUPAC name of 1-[2-(benzenesulfonyl)ethyl]piperidine (CID 786875) is 1-[2-(benzenesulfonyl)ethyl]piperidine.
What is the SMILES notation for 1-[2-(benzenesulfonyl)ethyl]piperidine?
The canonical SMILES for 1-[2-(benzenesulfonyl)ethyl]piperidine is O=S(=O)(CCN1CCCCC1)c1ccccc1.
What is the InChIKey of 1-[2-(benzenesulfonyl)ethyl]piperidine?
The InChIKey is DFPJBDGZXJEILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c15-17(16,13-7-3-1-4-8-13)12-11-14-9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-12H2.
What are the key properties of 1-[2-(benzenesulfonyl)ethyl]piperidine?
1-[2-(benzenesulfonyl)ethyl]piperidine has a molecular weight of 253.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfonyl)ethyl]piperidine is sourced from PubChem (CID 786875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).