2-ethoxy-1-pentylsulfonylpiperidine

C12H25NO3S — CID 20718913

IUPAC2-ethoxy-1-pentylsulfonylpiperidine
SMILESCCCCCS(=O)(=O)N1CCCCC1OCC
InChIInChI=1S/C12H25NO3S/c1-3-5-8-11-17(14,15)13-10-7-6-9-12(13)16-4-2/h12H,3-11H2,1-2H3
InChIKeyHUJGQGTYBGIMLH-UHFFFAOYSA-N
MW263.40 g/mol
LogP2.35
Rot. Bonds7

About 2-ethoxy-1-pentylsulfonylpiperidine

2-ethoxy-1-pentylsulfonylpiperidine (PubChem CID 20718913) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 2-ethoxy-1-pentylsulfonylpiperidine.

Molecular Properties

Compound Name2-ethoxy-1-pentylsulfonylpiperidine
PubChem CID20718913
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name2-ethoxy-1-pentylsulfonylpiperidine
SMILESCCCCCS(=O)(=O)N1CCCCC1OCC
InChIInChI=1S/C12H25NO3S/c1-3-5-8-11-17(14,15)13-10-7-6-9-12(13)16-4-2/h12H,3-11H2,1-2H3
InChIKeyHUJGQGTYBGIMLH-UHFFFAOYSA-N
XLogP2.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 52.35
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 2-ethoxy-1-pentylsulfonylpiperidine?
The IUPAC name of 2-ethoxy-1-pentylsulfonylpiperidine (CID 20718913) is 2-ethoxy-1-pentylsulfonylpiperidine.
What is the SMILES notation for 2-ethoxy-1-pentylsulfonylpiperidine?
The canonical SMILES for 2-ethoxy-1-pentylsulfonylpiperidine is CCCCCS(=O)(=O)N1CCCCC1OCC.
What is the InChIKey of 2-ethoxy-1-pentylsulfonylpiperidine?
The InChIKey is HUJGQGTYBGIMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-3-5-8-11-17(14,15)13-10-7-6-9-12(13)16-4-2/h12H,3-11H2,1-2H3.
What are the key properties of 2-ethoxy-1-pentylsulfonylpiperidine?
2-ethoxy-1-pentylsulfonylpiperidine has a molecular weight of 263.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-pentylsulfonylpiperidine is sourced from PubChem (CID 20718913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).