4-[2-(2-methylpropylsulfonyl)ethyl]piperidine

C11H23NO2S — CID 57095181

IUPAC4-[2-(2-methylpropylsulfonyl)ethyl]piperidine
SMILESCC(C)CS(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C11H23NO2S/c1-10(2)9-15(13,14)8-5-11-3-6-12-7-4-11/h10-12H,3-9H2,1-2H3
InChIKeyORGCIHXUSMCNTG-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.45
Rot. Bonds5

About 4-[2-(2-methylpropylsulfonyl)ethyl]piperidine

4-[2-(2-methylpropylsulfonyl)ethyl]piperidine (PubChem CID 57095181) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 4-[2-(2-methylpropylsulfonyl)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(2-methylpropylsulfonyl)ethyl]piperidine
PubChem CID57095181
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name4-[2-(2-methylpropylsulfonyl)ethyl]piperidine
SMILESCC(C)CS(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C11H23NO2S/c1-10(2)9-15(13,14)8-5-11-3-6-12-7-4-11/h10-12H,3-9H2,1-2H3
InChIKeyORGCIHXUSMCNTG-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(2-methylpropylsulfonyl)ethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylpropylsulfonyl)ethyl]piperidine?
The IUPAC name of 4-[2-(2-methylpropylsulfonyl)ethyl]piperidine (CID 57095181) is 4-[2-(2-methylpropylsulfonyl)ethyl]piperidine.
What is the SMILES notation for 4-[2-(2-methylpropylsulfonyl)ethyl]piperidine?
The canonical SMILES for 4-[2-(2-methylpropylsulfonyl)ethyl]piperidine is CC(C)CS(=O)(=O)CCC1CCNCC1.
What is the InChIKey of 4-[2-(2-methylpropylsulfonyl)ethyl]piperidine?
The InChIKey is ORGCIHXUSMCNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-10(2)9-15(13,14)8-5-11-3-6-12-7-4-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 4-[2-(2-methylpropylsulfonyl)ethyl]piperidine?
4-[2-(2-methylpropylsulfonyl)ethyl]piperidine has a molecular weight of 233.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpropylsulfonyl)ethyl]piperidine is sourced from PubChem (CID 57095181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).