1-tert-butyl-4-methyl-4-methylsulfonylpiperidine

C11H23NO2S — CID 90205885

IUPAC1-tert-butyl-4-methyl-4-methylsulfonylpiperidine
SMILESCC(C)(C)N1CCC(C)(S(C)(=O)=O)CC1
InChIInChI=1S/C11H23NO2S/c1-10(2,3)12-8-6-11(4,7-9-12)15(5,13)14/h6-9H2,1-5H3
InChIKeyWSXPJIJAMIZTFY-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.68
Rot. Bonds1

About 1-tert-butyl-4-methyl-4-methylsulfonylpiperidine

1-tert-butyl-4-methyl-4-methylsulfonylpiperidine (PubChem CID 90205885) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-tert-butyl-4-methyl-4-methylsulfonylpiperidine.

Molecular Properties

Compound Name1-tert-butyl-4-methyl-4-methylsulfonylpiperidine
PubChem CID90205885
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name1-tert-butyl-4-methyl-4-methylsulfonylpiperidine
SMILESCC(C)(C)N1CCC(C)(S(C)(=O)=O)CC1
InChIInChI=1S/C11H23NO2S/c1-10(2,3)12-8-6-11(4,7-9-12)15(5,13)14/h6-9H2,1-5H3
InChIKeyWSXPJIJAMIZTFY-UHFFFAOYSA-N
XLogP1.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methyl-4-methylsulfonylpiperidine?
The IUPAC name of 1-tert-butyl-4-methyl-4-methylsulfonylpiperidine (CID 90205885) is 1-tert-butyl-4-methyl-4-methylsulfonylpiperidine.
What is the SMILES notation for 1-tert-butyl-4-methyl-4-methylsulfonylpiperidine?
The canonical SMILES for 1-tert-butyl-4-methyl-4-methylsulfonylpiperidine is CC(C)(C)N1CCC(C)(S(C)(=O)=O)CC1.
What is the InChIKey of 1-tert-butyl-4-methyl-4-methylsulfonylpiperidine?
The InChIKey is WSXPJIJAMIZTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-10(2,3)12-8-6-11(4,7-9-12)15(5,13)14/h6-9H2,1-5H3.
What are the key properties of 1-tert-butyl-4-methyl-4-methylsulfonylpiperidine?
1-tert-butyl-4-methyl-4-methylsulfonylpiperidine has a molecular weight of 233.38 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methyl-4-methylsulfonylpiperidine is sourced from PubChem (CID 90205885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).