4-(2,2-diethoxyethylsulfanyl)piperidine

C11H23NO2S — CID 19936600

IUPAC4-(2,2-diethoxyethylsulfanyl)piperidine
SMILESCCOC(CSC1CCNCC1)OCC
InChIInChI=1S/C11H23NO2S/c1-3-13-11(14-4-2)9-15-10-5-7-12-8-6-10/h10-12H,3-9H2,1-2H3
InChIKeyQPJOLCIJLMTEIY-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.87
Rot. Bonds7

About 4-(2,2-diethoxyethylsulfanyl)piperidine

4-(2,2-diethoxyethylsulfanyl)piperidine (PubChem CID 19936600) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 4-(2,2-diethoxyethylsulfanyl)piperidine.

Molecular Properties

Compound Name4-(2,2-diethoxyethylsulfanyl)piperidine
PubChem CID19936600
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name4-(2,2-diethoxyethylsulfanyl)piperidine
SMILESCCOC(CSC1CCNCC1)OCC
InChIInChI=1S/C11H23NO2S/c1-3-13-11(14-4-2)9-15-10-5-7-12-8-6-10/h10-12H,3-9H2,1-2H3
InChIKeyQPJOLCIJLMTEIY-UHFFFAOYSA-N
XLogP1.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diethoxyethylsulfanyl)piperidine?
The IUPAC name of 4-(2,2-diethoxyethylsulfanyl)piperidine (CID 19936600) is 4-(2,2-diethoxyethylsulfanyl)piperidine.
What is the SMILES notation for 4-(2,2-diethoxyethylsulfanyl)piperidine?
The canonical SMILES for 4-(2,2-diethoxyethylsulfanyl)piperidine is CCOC(CSC1CCNCC1)OCC.
What is the InChIKey of 4-(2,2-diethoxyethylsulfanyl)piperidine?
The InChIKey is QPJOLCIJLMTEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-13-11(14-4-2)9-15-10-5-7-12-8-6-10/h10-12H,3-9H2,1-2H3.
What are the key properties of 4-(2,2-diethoxyethylsulfanyl)piperidine?
4-(2,2-diethoxyethylsulfanyl)piperidine has a molecular weight of 233.38 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diethoxyethylsulfanyl)piperidine is sourced from PubChem (CID 19936600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).