4-(benzenesulfonyl)piperidine

C11H15NO2S — CID 5190868

IUPAC4-(benzenesulfonyl)piperidine
SMILESO=S(=O)(c1ccccc1)C1CCNCC1
InChIInChI=1S/C11H15NO2S/c13-15(14,10-4-2-1-3-5-10)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
InChIKeyPMIWSPDQRMEORO-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.21
Rot. Bonds2

About 4-(benzenesulfonyl)piperidine

4-(benzenesulfonyl)piperidine (PubChem CID 5190868) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-(benzenesulfonyl)piperidine.

Molecular Properties

Compound Name4-(benzenesulfonyl)piperidine
PubChem CID5190868
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name4-(benzenesulfonyl)piperidine
SMILESO=S(=O)(c1ccccc1)C1CCNCC1
InChIInChI=1S/C11H15NO2S/c13-15(14,10-4-2-1-3-5-10)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
InChIKeyPMIWSPDQRMEORO-UHFFFAOYSA-N
XLogP1.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)piperidine?
The IUPAC name of 4-(benzenesulfonyl)piperidine (CID 5190868) is 4-(benzenesulfonyl)piperidine.
What is the SMILES notation for 4-(benzenesulfonyl)piperidine?
The canonical SMILES for 4-(benzenesulfonyl)piperidine is O=S(=O)(c1ccccc1)C1CCNCC1.
What is the InChIKey of 4-(benzenesulfonyl)piperidine?
The InChIKey is PMIWSPDQRMEORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-15(14,10-4-2-1-3-5-10)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2.
What are the key properties of 4-(benzenesulfonyl)piperidine?
4-(benzenesulfonyl)piperidine has a molecular weight of 225.31 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)piperidine is sourced from PubChem (CID 5190868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).