1-tert-butyl-4-tert-butylsulfonylpiperidine

C13H27NO2S — CID 59522770

IUPAC1-tert-butyl-4-tert-butylsulfonylpiperidine
SMILESCC(C)(C)N1CCC(S(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H27NO2S/c1-12(2,3)14-9-7-11(8-10-14)17(15,16)13(4,5)6/h11H,7-10H2,1-6H3
InChIKeyONOYLGDVHQQONI-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.46
Rot. Bonds1

About 1-tert-butyl-4-tert-butylsulfonylpiperidine

1-tert-butyl-4-tert-butylsulfonylpiperidine (PubChem CID 59522770) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-tert-butyl-4-tert-butylsulfonylpiperidine.

Molecular Properties

Compound Name1-tert-butyl-4-tert-butylsulfonylpiperidine
PubChem CID59522770
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name1-tert-butyl-4-tert-butylsulfonylpiperidine
SMILESCC(C)(C)N1CCC(S(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H27NO2S/c1-12(2,3)14-9-7-11(8-10-14)17(15,16)13(4,5)6/h11H,7-10H2,1-6H3
InChIKeyONOYLGDVHQQONI-UHFFFAOYSA-N
XLogP2.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.46
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-tert-butylsulfonylpiperidine?
The IUPAC name of 1-tert-butyl-4-tert-butylsulfonylpiperidine (CID 59522770) is 1-tert-butyl-4-tert-butylsulfonylpiperidine.
What is the SMILES notation for 1-tert-butyl-4-tert-butylsulfonylpiperidine?
The canonical SMILES for 1-tert-butyl-4-tert-butylsulfonylpiperidine is CC(C)(C)N1CCC(S(=O)(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-tert-butylsulfonylpiperidine?
The InChIKey is ONOYLGDVHQQONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-12(2,3)14-9-7-11(8-10-14)17(15,16)13(4,5)6/h11H,7-10H2,1-6H3.
What are the key properties of 1-tert-butyl-4-tert-butylsulfonylpiperidine?
1-tert-butyl-4-tert-butylsulfonylpiperidine has a molecular weight of 261.43 g/mol, XLogP of 2.46, 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-tert-butylsulfonylpiperidine is sourced from PubChem (CID 59522770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).