3-[2-(2-methylsulfonylethoxy)ethyl]piperidine

C10H21NO3S — CID 62358343

IUPAC3-[2-(2-methylsulfonylethoxy)ethyl]piperidine
SMILESCS(=O)(=O)CCOCCC1CCCNC1
InChIInChI=1S/C10H21NO3S/c1-15(12,13)8-7-14-6-4-10-3-2-5-11-9-10/h10-11H,2-9H2,1H3
InChIKeyICFORCWXYRUCBM-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.44
Rot. Bonds6

About 3-[2-(2-methylsulfonylethoxy)ethyl]piperidine

3-[2-(2-methylsulfonylethoxy)ethyl]piperidine (PubChem CID 62358343) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-[2-(2-methylsulfonylethoxy)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(2-methylsulfonylethoxy)ethyl]piperidine
PubChem CID62358343
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name3-[2-(2-methylsulfonylethoxy)ethyl]piperidine
SMILESCS(=O)(=O)CCOCCC1CCCNC1
InChIInChI=1S/C10H21NO3S/c1-15(12,13)8-7-14-6-4-10-3-2-5-11-9-10/h10-11H,2-9H2,1H3
InChIKeyICFORCWXYRUCBM-UHFFFAOYSA-N
XLogP0.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.44
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 3-[2-(2-methylsulfonylethoxy)ethyl]piperidine?
The IUPAC name of 3-[2-(2-methylsulfonylethoxy)ethyl]piperidine (CID 62358343) is 3-[2-(2-methylsulfonylethoxy)ethyl]piperidine.
What is the SMILES notation for 3-[2-(2-methylsulfonylethoxy)ethyl]piperidine?
The canonical SMILES for 3-[2-(2-methylsulfonylethoxy)ethyl]piperidine is CS(=O)(=O)CCOCCC1CCCNC1.
What is the InChIKey of 3-[2-(2-methylsulfonylethoxy)ethyl]piperidine?
The InChIKey is ICFORCWXYRUCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-15(12,13)8-7-14-6-4-10-3-2-5-11-9-10/h10-11H,2-9H2,1H3.
What are the key properties of 3-[2-(2-methylsulfonylethoxy)ethyl]piperidine?
3-[2-(2-methylsulfonylethoxy)ethyl]piperidine has a molecular weight of 235.35 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylsulfonylethoxy)ethyl]piperidine is sourced from PubChem (CID 62358343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).