4-tert-butyl-1-cyclopentylsulfonylpiperidine

C14H27NO2S — CID 58395274

IUPAC4-tert-butyl-1-cyclopentylsulfonylpiperidine
SMILESCC(C)(C)C1CCN(S(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C14H27NO2S/c1-14(2,3)12-8-10-15(11-9-12)18(16,17)13-6-4-5-7-13/h12-13H,4-11H2,1-3H3
InChIKeyAEXNEAPYUCGTHA-UHFFFAOYSA-N
MW273.44 g/mol
LogP3.02
Rot. Bonds2

About 4-tert-butyl-1-cyclopentylsulfonylpiperidine

4-tert-butyl-1-cyclopentylsulfonylpiperidine (PubChem CID 58395274) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is 4-tert-butyl-1-cyclopentylsulfonylpiperidine.

Molecular Properties

Compound Name4-tert-butyl-1-cyclopentylsulfonylpiperidine
PubChem CID58395274
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name4-tert-butyl-1-cyclopentylsulfonylpiperidine
SMILESCC(C)(C)C1CCN(S(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C14H27NO2S/c1-14(2,3)12-8-10-15(11-9-12)18(16,17)13-6-4-5-7-13/h12-13H,4-11H2,1-3H3
InChIKeyAEXNEAPYUCGTHA-UHFFFAOYSA-N
XLogP3.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-cyclopentylsulfonylpiperidine?
The IUPAC name of 4-tert-butyl-1-cyclopentylsulfonylpiperidine (CID 58395274) is 4-tert-butyl-1-cyclopentylsulfonylpiperidine.
What is the SMILES notation for 4-tert-butyl-1-cyclopentylsulfonylpiperidine?
The canonical SMILES for 4-tert-butyl-1-cyclopentylsulfonylpiperidine is CC(C)(C)C1CCN(S(=O)(=O)C2CCCC2)CC1.
What is the InChIKey of 4-tert-butyl-1-cyclopentylsulfonylpiperidine?
The InChIKey is AEXNEAPYUCGTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-14(2,3)12-8-10-15(11-9-12)18(16,17)13-6-4-5-7-13/h12-13H,4-11H2,1-3H3.
What are the key properties of 4-tert-butyl-1-cyclopentylsulfonylpiperidine?
4-tert-butyl-1-cyclopentylsulfonylpiperidine has a molecular weight of 273.44 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-cyclopentylsulfonylpiperidine is sourced from PubChem (CID 58395274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).