2-[2-(benzenesulfonyl)ethyl]piperidine

C13H19NO2S — CID 4914500

IUPAC2-[2-(benzenesulfonyl)ethyl]piperidine
SMILESO=S(=O)(CCC1CCCCN1)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
InChIKeyACPAJXSEQAMCLG-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.99
Rot. Bonds4

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

2-[2-(benzenesulfonyl)ethyl]piperidine (PubChem CID 4914500) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)ethyl]piperidine
PubChem CID4914500
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-[2-(benzenesulfonyl)ethyl]piperidine
SMILESO=S(=O)(CCC1CCCCN1)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
InChIKeyACPAJXSEQAMCLG-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)ethyl]piperidine?
The IUPAC name of 2-[2-(benzenesulfonyl)ethyl]piperidine (CID 4914500) is 2-[2-(benzenesulfonyl)ethyl]piperidine.
What is the SMILES notation for 2-[2-(benzenesulfonyl)ethyl]piperidine?
The canonical SMILES for 2-[2-(benzenesulfonyl)ethyl]piperidine is O=S(=O)(CCC1CCCCN1)c1ccccc1.
What is the InChIKey of 2-[2-(benzenesulfonyl)ethyl]piperidine?
The InChIKey is ACPAJXSEQAMCLG-UHFFFAOYSA-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.
What are the key properties of 2-[2-(benzenesulfonyl)ethyl]piperidine?
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 2-[2-(benzenesulfonyl)ethyl]piperidine is sourced from PubChem (CID 4914500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).