4-[3-(4-methylphenyl)sulfonylpropyl]piperidine

C15H23NO2S — CID 57207828

IUPAC4-[3-(4-methylphenyl)sulfonylpropyl]piperidine
SMILESCc1ccc(S(=O)(=O)CCCC2CCNCC2)cc1
InChIInChI=1S/C15H23NO2S/c1-13-4-6-15(7-5-13)19(17,18)12-2-3-14-8-10-16-11-9-14/h4-7,14,16H,2-3,8-12H2,1H3
InChIKeyHQAJSEFXUSMELN-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.55
Rot. Bonds5

About 4-[3-(4-methylphenyl)sulfonylpropyl]piperidine

4-[3-(4-methylphenyl)sulfonylpropyl]piperidine (PubChem CID 57207828) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-[3-(4-methylphenyl)sulfonylpropyl]piperidine.

Molecular Properties

Compound Name4-[3-(4-methylphenyl)sulfonylpropyl]piperidine
PubChem CID57207828
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name4-[3-(4-methylphenyl)sulfonylpropyl]piperidine
SMILESCc1ccc(S(=O)(=O)CCCC2CCNCC2)cc1
InChIInChI=1S/C15H23NO2S/c1-13-4-6-15(7-5-13)19(17,18)12-2-3-14-8-10-16-11-9-14/h4-7,14,16H,2-3,8-12H2,1H3
InChIKeyHQAJSEFXUSMELN-UHFFFAOYSA-N
XLogP2.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylphenyl)sulfonylpropyl]piperidine?
The IUPAC name of 4-[3-(4-methylphenyl)sulfonylpropyl]piperidine (CID 57207828) is 4-[3-(4-methylphenyl)sulfonylpropyl]piperidine.
What is the SMILES notation for 4-[3-(4-methylphenyl)sulfonylpropyl]piperidine?
The canonical SMILES for 4-[3-(4-methylphenyl)sulfonylpropyl]piperidine is Cc1ccc(S(=O)(=O)CCCC2CCNCC2)cc1.
What is the InChIKey of 4-[3-(4-methylphenyl)sulfonylpropyl]piperidine?
The InChIKey is HQAJSEFXUSMELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-13-4-6-15(7-5-13)19(17,18)12-2-3-14-8-10-16-11-9-14/h4-7,14,16H,2-3,8-12H2,1H3.
What are the key properties of 4-[3-(4-methylphenyl)sulfonylpropyl]piperidine?
4-[3-(4-methylphenyl)sulfonylpropyl]piperidine has a molecular weight of 281.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylphenyl)sulfonylpropyl]piperidine is sourced from PubChem (CID 57207828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).