1-(4-butoxyphenyl)sulfonylpiperidine

C15H23NO3S — CID 2054877

IUPAC1-(4-butoxyphenyl)sulfonylpiperidine
SMILESCCCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H23NO3S/c1-2-3-13-19-14-7-9-15(10-8-14)20(17,18)16-11-5-4-6-12-16/h7-10H,2-6,11-13H2,1H3
InChIKeyALMHXOQIZHDANH-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.04
Rot. Bonds6

About 1-(4-butoxyphenyl)sulfonylpiperidine

1-(4-butoxyphenyl)sulfonylpiperidine (PubChem CID 2054877) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4-butoxyphenyl)sulfonylpiperidine
PubChem CID2054877
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name1-(4-butoxyphenyl)sulfonylpiperidine
SMILESCCCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H23NO3S/c1-2-3-13-19-14-7-9-15(10-8-14)20(17,18)16-11-5-4-6-12-16/h7-10H,2-6,11-13H2,1H3
InChIKeyALMHXOQIZHDANH-UHFFFAOYSA-N
XLogP3.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)sulfonylpiperidine?
The IUPAC name of 1-(4-butoxyphenyl)sulfonylpiperidine (CID 2054877) is 1-(4-butoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(4-butoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(4-butoxyphenyl)sulfonylpiperidine is CCCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)sulfonylpiperidine?
The InChIKey is ALMHXOQIZHDANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-2-3-13-19-14-7-9-15(10-8-14)20(17,18)16-11-5-4-6-12-16/h7-10H,2-6,11-13H2,1H3.
What are the key properties of 1-(4-butoxyphenyl)sulfonylpiperidine?
1-(4-butoxyphenyl)sulfonylpiperidine has a molecular weight of 297.42 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 2054877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).