1-(1-ethylsulfonylbutan-2-yl)piperidine

C11H23NO2S — CID 54548586

IUPAC1-(1-ethylsulfonylbutan-2-yl)piperidine
SMILESCCC(CS(=O)(=O)CC)N1CCCCC1
InChIInChI=1S/C11H23NO2S/c1-3-11(10-15(13,14)4-2)12-8-6-5-7-9-12/h11H,3-10H2,1-2H3
InChIKeyZIHPYSUOIRVELZ-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.69
Rot. Bonds5

About 1-(1-ethylsulfonylbutan-2-yl)piperidine

1-(1-ethylsulfonylbutan-2-yl)piperidine (PubChem CID 54548586) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-(1-ethylsulfonylbutan-2-yl)piperidine.

Molecular Properties

Compound Name1-(1-ethylsulfonylbutan-2-yl)piperidine
PubChem CID54548586
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name1-(1-ethylsulfonylbutan-2-yl)piperidine
SMILESCCC(CS(=O)(=O)CC)N1CCCCC1
InChIInChI=1S/C11H23NO2S/c1-3-11(10-15(13,14)4-2)12-8-6-5-7-9-12/h11H,3-10H2,1-2H3
InChIKeyZIHPYSUOIRVELZ-UHFFFAOYSA-N
XLogP1.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylsulfonylbutan-2-yl)piperidine?
The IUPAC name of 1-(1-ethylsulfonylbutan-2-yl)piperidine (CID 54548586) is 1-(1-ethylsulfonylbutan-2-yl)piperidine.
What is the SMILES notation for 1-(1-ethylsulfonylbutan-2-yl)piperidine?
The canonical SMILES for 1-(1-ethylsulfonylbutan-2-yl)piperidine is CCC(CS(=O)(=O)CC)N1CCCCC1.
What is the InChIKey of 1-(1-ethylsulfonylbutan-2-yl)piperidine?
The InChIKey is ZIHPYSUOIRVELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-11(10-15(13,14)4-2)12-8-6-5-7-9-12/h11H,3-10H2,1-2H3.
What are the key properties of 1-(1-ethylsulfonylbutan-2-yl)piperidine?
1-(1-ethylsulfonylbutan-2-yl)piperidine has a molecular weight of 233.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylsulfonylbutan-2-yl)piperidine is sourced from PubChem (CID 54548586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).