4-(benzylsulfonylmethyl)piperidine

C13H19NO2S — CID 18364747

IUPAC4-(benzylsulfonylmethyl)piperidine
SMILESO=S(=O)(Cc1ccccc1)CC1CCNCC1
InChIInChI=1S/C13H19NO2S/c15-17(16,10-12-4-2-1-3-5-12)11-13-6-8-14-9-7-13/h1-5,13-14H,6-11H2
InChIKeyFVFDDMHQNKXPKD-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.60
Rot. Bonds4

About 4-(benzylsulfonylmethyl)piperidine

4-(benzylsulfonylmethyl)piperidine (PubChem CID 18364747) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-(benzylsulfonylmethyl)piperidine.

Molecular Properties

Compound Name4-(benzylsulfonylmethyl)piperidine
PubChem CID18364747
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name4-(benzylsulfonylmethyl)piperidine
SMILESO=S(=O)(Cc1ccccc1)CC1CCNCC1
InChIInChI=1S/C13H19NO2S/c15-17(16,10-12-4-2-1-3-5-12)11-13-6-8-14-9-7-13/h1-5,13-14H,6-11H2
InChIKeyFVFDDMHQNKXPKD-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzylsulfonylmethyl)piperidine?
The IUPAC name of 4-(benzylsulfonylmethyl)piperidine (CID 18364747) is 4-(benzylsulfonylmethyl)piperidine.
What is the SMILES notation for 4-(benzylsulfonylmethyl)piperidine?
The canonical SMILES for 4-(benzylsulfonylmethyl)piperidine is O=S(=O)(Cc1ccccc1)CC1CCNCC1.
What is the InChIKey of 4-(benzylsulfonylmethyl)piperidine?
The InChIKey is FVFDDMHQNKXPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c15-17(16,10-12-4-2-1-3-5-12)11-13-6-8-14-9-7-13/h1-5,13-14H,6-11H2.
What are the key properties of 4-(benzylsulfonylmethyl)piperidine?
4-(benzylsulfonylmethyl)piperidine has a molecular weight of 253.37 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylsulfonylmethyl)piperidine is sourced from PubChem (CID 18364747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).