4-(2-butylsulfonylethyl)piperidine

C11H23NO2S — CID 57004487

IUPAC4-(2-butylsulfonylethyl)piperidine
SMILESCCCCS(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C11H23NO2S/c1-2-3-9-15(13,14)10-6-11-4-7-12-8-5-11/h11-12H,2-10H2,1H3
InChIKeyBAKMPIZTGWJESR-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.59
Rot. Bonds6

About 4-(2-butylsulfonylethyl)piperidine

4-(2-butylsulfonylethyl)piperidine (PubChem CID 57004487) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 4-(2-butylsulfonylethyl)piperidine.

Molecular Properties

Compound Name4-(2-butylsulfonylethyl)piperidine
PubChem CID57004487
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name4-(2-butylsulfonylethyl)piperidine
SMILESCCCCS(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C11H23NO2S/c1-2-3-9-15(13,14)10-6-11-4-7-12-8-5-11/h11-12H,2-10H2,1H3
InChIKeyBAKMPIZTGWJESR-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-butylsulfonylethyl)piperidine?
The IUPAC name of 4-(2-butylsulfonylethyl)piperidine (CID 57004487) is 4-(2-butylsulfonylethyl)piperidine.
What is the SMILES notation for 4-(2-butylsulfonylethyl)piperidine?
The canonical SMILES for 4-(2-butylsulfonylethyl)piperidine is CCCCS(=O)(=O)CCC1CCNCC1.
What is the InChIKey of 4-(2-butylsulfonylethyl)piperidine?
The InChIKey is BAKMPIZTGWJESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-2-3-9-15(13,14)10-6-11-4-7-12-8-5-11/h11-12H,2-10H2,1H3.
What are the key properties of 4-(2-butylsulfonylethyl)piperidine?
4-(2-butylsulfonylethyl)piperidine has a molecular weight of 233.38 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butylsulfonylethyl)piperidine is sourced from PubChem (CID 57004487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).