2-(2-methylsulfonylethyl)piperidine

C8H17NO2S — CID 53485993

IUPAC2-(2-methylsulfonylethyl)piperidine
SMILESCS(=O)(=O)CCC1CCCCN1
InChIInChI=1S/C8H17NO2S/c1-12(10,11)7-5-8-4-2-3-6-9-8/h8-9H,2-7H2,1H3
InChIKeyGXOZWSDGABKARV-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.56
Rot. Bonds3

About 2-(2-methylsulfonylethyl)piperidine

2-(2-methylsulfonylethyl)piperidine (PubChem CID 53485993) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-(2-methylsulfonylethyl)piperidine.

Molecular Properties

Compound Name2-(2-methylsulfonylethyl)piperidine
PubChem CID53485993
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name2-(2-methylsulfonylethyl)piperidine
SMILESCS(=O)(=O)CCC1CCCCN1
InChIInChI=1S/C8H17NO2S/c1-12(10,11)7-5-8-4-2-3-6-9-8/h8-9H,2-7H2,1H3
InChIKeyGXOZWSDGABKARV-UHFFFAOYSA-N
XLogP0.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethyl)piperidine?
The IUPAC name of 2-(2-methylsulfonylethyl)piperidine (CID 53485993) is 2-(2-methylsulfonylethyl)piperidine.
What is the SMILES notation for 2-(2-methylsulfonylethyl)piperidine?
The canonical SMILES for 2-(2-methylsulfonylethyl)piperidine is CS(=O)(=O)CCC1CCCCN1.
What is the InChIKey of 2-(2-methylsulfonylethyl)piperidine?
The InChIKey is GXOZWSDGABKARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-12(10,11)7-5-8-4-2-3-6-9-8/h8-9H,2-7H2,1H3.
What are the key properties of 2-(2-methylsulfonylethyl)piperidine?
2-(2-methylsulfonylethyl)piperidine has a molecular weight of 191.30 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethyl)piperidine is sourced from PubChem (CID 53485993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).