4-pentylsulfonylpiperidine

C10H21NO2S — CID 69370412

IUPAC4-pentylsulfonylpiperidine
SMILESCCCCCS(=O)(=O)C1CCNCC1
InChIInChI=1S/C10H21NO2S/c1-2-3-4-9-14(12,13)10-5-7-11-8-6-10/h10-11H,2-9H2,1H3
InChIKeyPOXVIJJQIUYWBE-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.34
Rot. Bonds5

About 4-pentylsulfonylpiperidine

4-pentylsulfonylpiperidine (PubChem CID 69370412) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 4-pentylsulfonylpiperidine.

Molecular Properties

Compound Name4-pentylsulfonylpiperidine
PubChem CID69370412
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name4-pentylsulfonylpiperidine
SMILESCCCCCS(=O)(=O)C1CCNCC1
InChIInChI=1S/C10H21NO2S/c1-2-3-4-9-14(12,13)10-5-7-11-8-6-10/h10-11H,2-9H2,1H3
InChIKeyPOXVIJJQIUYWBE-UHFFFAOYSA-N
XLogP1.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
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 4-pentylsulfonylpiperidine?
The IUPAC name of 4-pentylsulfonylpiperidine (CID 69370412) is 4-pentylsulfonylpiperidine.
What is the SMILES notation for 4-pentylsulfonylpiperidine?
The canonical SMILES for 4-pentylsulfonylpiperidine is CCCCCS(=O)(=O)C1CCNCC1.
What is the InChIKey of 4-pentylsulfonylpiperidine?
The InChIKey is POXVIJJQIUYWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-2-3-4-9-14(12,13)10-5-7-11-8-6-10/h10-11H,2-9H2,1H3.
What are the key properties of 4-pentylsulfonylpiperidine?
4-pentylsulfonylpiperidine has a molecular weight of 219.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentylsulfonylpiperidine is sourced from PubChem (CID 69370412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).