4-(2,2-diethoxyethylsulfanyl)-1-methoxypiperidine

C12H25NO3S — CID 19936642

IUPAC4-(2,2-diethoxyethylsulfanyl)-1-methoxypiperidine
SMILESCCOC(CSC1CCN(OC)CC1)OCC
InChIInChI=1S/C12H25NO3S/c1-4-15-12(16-5-2)10-17-11-6-8-13(14-3)9-7-11/h11-12H,4-10H2,1-3H3
InChIKeyIVBJBUJFOFRAIC-UHFFFAOYSA-N
MW263.40 g/mol
LogP2.14
Rot. Bonds8

About 4-(2,2-diethoxyethylsulfanyl)-1-methoxypiperidine

4-(2,2-diethoxyethylsulfanyl)-1-methoxypiperidine (PubChem CID 19936642) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 4-(2,2-diethoxyethylsulfanyl)-1-methoxypiperidine.

Molecular Properties

Compound Name4-(2,2-diethoxyethylsulfanyl)-1-methoxypiperidine
PubChem CID19936642
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name4-(2,2-diethoxyethylsulfanyl)-1-methoxypiperidine
SMILESCCOC(CSC1CCN(OC)CC1)OCC
InChIInChI=1S/C12H25NO3S/c1-4-15-12(16-5-2)10-17-11-6-8-13(14-3)9-7-11/h11-12H,4-10H2,1-3H3
InChIKeyIVBJBUJFOFRAIC-UHFFFAOYSA-N
XLogP2.14
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2-Diethoxyethylsulfanyl)piperidine
CID 19936600
4-[(2,2-Diethoxyethyl)thio]-1-methylpiperidine
CID 19936607
4-(2,2-Diethoxyethylsulfanyl)-1-propan-2-ylpiperidine
CID 19936638
4-(3,3-Diethoxypropyl)-2-ethylthiomorpholine
CID 116401346

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diethoxyethylsulfanyl)-1-methoxypiperidine?
The IUPAC name of 4-(2,2-diethoxyethylsulfanyl)-1-methoxypiperidine (CID 19936642) is 4-(2,2-diethoxyethylsulfanyl)-1-methoxypiperidine.
What is the SMILES notation for 4-(2,2-diethoxyethylsulfanyl)-1-methoxypiperidine?
The canonical SMILES for 4-(2,2-diethoxyethylsulfanyl)-1-methoxypiperidine is CCOC(CSC1CCN(OC)CC1)OCC.
What is the InChIKey of 4-(2,2-diethoxyethylsulfanyl)-1-methoxypiperidine?
The InChIKey is IVBJBUJFOFRAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-4-15-12(16-5-2)10-17-11-6-8-13(14-3)9-7-11/h11-12H,4-10H2,1-3H3.
What are the key properties of 4-(2,2-diethoxyethylsulfanyl)-1-methoxypiperidine?
4-(2,2-diethoxyethylsulfanyl)-1-methoxypiperidine has a molecular weight of 263.40 g/mol, XLogP of 2.14, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diethoxyethylsulfanyl)-1-methoxypiperidine is sourced from PubChem (CID 19936642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).