2-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]ethanol

C11H23NO4S — CID 55174882

IUPAC2-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]ethanol
SMILESCCOCCS(=O)(=O)N1CCCCC1CCO
InChIInChI=1S/C11H23NO4S/c1-2-16-9-10-17(14,15)12-7-4-3-5-11(12)6-8-13/h11,13H,2-10H2,1H3
InChIKeyGMXIREGRYVHPBR-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.59
Rot. Bonds7

About 2-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]ethanol

2-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]ethanol (PubChem CID 55174882) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]ethanol
PubChem CID55174882
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name2-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]ethanol
SMILESCCOCCS(=O)(=O)N1CCCCC1CCO
InChIInChI=1S/C11H23NO4S/c1-2-16-9-10-17(14,15)12-7-4-3-5-11(12)6-8-13/h11,13H,2-10H2,1H3
InChIKeyGMXIREGRYVHPBR-UHFFFAOYSA-N
XLogP0.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]ethanol (CID 55174882) is 2-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]ethanol is CCOCCS(=O)(=O)N1CCCCC1CCO.
What is the InChIKey of 2-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]ethanol?
The InChIKey is GMXIREGRYVHPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-2-16-9-10-17(14,15)12-7-4-3-5-11(12)6-8-13/h11,13H,2-10H2,1H3.
What are the key properties of 2-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]ethanol?
2-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]ethanol has a molecular weight of 265.37 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 55174882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).