4-cyclohexylsulfonylpiperidine

C11H21NO2S — CID 71777947

IUPAC4-cyclohexylsulfonylpiperidine
SMILESO=S(=O)(C1CCCCC1)C1CCNCC1
InChIInChI=1S/C11H21NO2S/c13-15(14,10-4-2-1-3-5-10)11-6-8-12-9-7-11/h10-12H,1-9H2
InChIKeyZGKQYPOVVAFHEB-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.49
Rot. Bonds2

About 4-cyclohexylsulfonylpiperidine

4-cyclohexylsulfonylpiperidine (PubChem CID 71777947) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 4-cyclohexylsulfonylpiperidine.

Molecular Properties

Compound Name4-cyclohexylsulfonylpiperidine
PubChem CID71777947
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name4-cyclohexylsulfonylpiperidine
SMILESO=S(=O)(C1CCCCC1)C1CCNCC1
InChIInChI=1S/C11H21NO2S/c13-15(14,10-4-2-1-3-5-10)11-6-8-12-9-7-11/h10-12H,1-9H2
InChIKeyZGKQYPOVVAFHEB-UHFFFAOYSA-N
XLogP1.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylsulfonylpiperidine?
The IUPAC name of 4-cyclohexylsulfonylpiperidine (CID 71777947) is 4-cyclohexylsulfonylpiperidine.
What is the SMILES notation for 4-cyclohexylsulfonylpiperidine?
The canonical SMILES for 4-cyclohexylsulfonylpiperidine is O=S(=O)(C1CCCCC1)C1CCNCC1.
What is the InChIKey of 4-cyclohexylsulfonylpiperidine?
The InChIKey is ZGKQYPOVVAFHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c13-15(14,10-4-2-1-3-5-10)11-6-8-12-9-7-11/h10-12H,1-9H2.
What are the key properties of 4-cyclohexylsulfonylpiperidine?
4-cyclohexylsulfonylpiperidine has a molecular weight of 231.36 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylsulfonylpiperidine is sourced from PubChem (CID 71777947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).