1-(4-tert-butylphenyl)sulfonylpiperidine

C15H23NO2S — CID 847755

IUPAC1-(4-tert-butylphenyl)sulfonylpiperidine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H23NO2S/c1-15(2,3)13-7-9-14(10-8-13)19(17,18)16-11-5-4-6-12-16/h7-10H,4-6,11-12H2,1-3H3
InChIKeyMCPYZRPYOOYYNC-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.16
Rot. Bonds2

About 1-(4-tert-butylphenyl)sulfonylpiperidine

1-(4-tert-butylphenyl)sulfonylpiperidine (PubChem CID 847755) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonylpiperidine
PubChem CID847755
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name1-(4-tert-butylphenyl)sulfonylpiperidine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H23NO2S/c1-15(2,3)13-7-9-14(10-8-13)19(17,18)16-11-5-4-6-12-16/h7-10H,4-6,11-12H2,1-3H3
InChIKeyMCPYZRPYOOYYNC-UHFFFAOYSA-N
XLogP3.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonylpiperidine?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonylpiperidine (CID 847755) is 1-(4-tert-butylphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonylpiperidine is CC(C)(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonylpiperidine?
The InChIKey is MCPYZRPYOOYYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-15(2,3)13-7-9-14(10-8-13)19(17,18)16-11-5-4-6-12-16/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)sulfonylpiperidine?
1-(4-tert-butylphenyl)sulfonylpiperidine has a molecular weight of 281.42 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonylpiperidine is sourced from PubChem (CID 847755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).