4-tert-butyl-1-tert-butylsulfonylpiperidine

C13H27NO2S — CID 20657894

IUPAC4-tert-butyl-1-tert-butylsulfonylpiperidine
SMILESCC(C)(C)C1CCN(S(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H27NO2S/c1-12(2,3)11-7-9-14(10-8-11)17(15,16)13(4,5)6/h11H,7-10H2,1-6H3
InChIKeyWNTCTGXWPLVZRK-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.87
Rot. Bonds1

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

4-tert-butyl-1-tert-butylsulfonylpiperidine (PubChem CID 20657894) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 4-tert-butyl-1-tert-butylsulfonylpiperidine.

Molecular Properties

Compound Name4-tert-butyl-1-tert-butylsulfonylpiperidine
PubChem CID20657894
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name4-tert-butyl-1-tert-butylsulfonylpiperidine
SMILESCC(C)(C)C1CCN(S(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H27NO2S/c1-12(2,3)11-7-9-14(10-8-11)17(15,16)13(4,5)6/h11H,7-10H2,1-6H3
InChIKeyWNTCTGXWPLVZRK-UHFFFAOYSA-N
XLogP2.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine
CID 75477666
1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine
CID 97213735
4-Tert-butyl-1-(trifluoromethylsulfonyl)piperidine
CID 58394662
4,4-Difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)piperidine
CID 59634290
1-(2-Fluoro-3-methylbutan-2-yl)sulfonylpiperidine
CID 90320463
4-(2-Methylbutan-2-yl)-1-(trifluoromethylsulfonyl)piperidine
CID 126647929
4-Tert-butyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 155458510
4-Tert-butyl-3-fluoro-1-methylsulfonylpiperidine
CID 168140854
1-(2-Fluoropropan-2-ylsulfonyl)-3-hexan-3-ylpiperidine
CID 170359181
(3S,4R)-4-tert-butyl-3-fluoro-1-methylsulfonylpiperidine
CID 171581880
4-Tert-butyl-1-(fluoromethylsulfonyl)piperidine
CID 171582021
(3R,4S)-4-tert-butyl-3-fluoro-1-methylsulfonylpiperidine
CID 171582099

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-tert-butylsulfonylpiperidine?
The IUPAC name of 4-tert-butyl-1-tert-butylsulfonylpiperidine (CID 20657894) is 4-tert-butyl-1-tert-butylsulfonylpiperidine.
What is the SMILES notation for 4-tert-butyl-1-tert-butylsulfonylpiperidine?
The canonical SMILES for 4-tert-butyl-1-tert-butylsulfonylpiperidine is CC(C)(C)C1CCN(S(=O)(=O)C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-tert-butylsulfonylpiperidine?
The InChIKey is WNTCTGXWPLVZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-12(2,3)11-7-9-14(10-8-11)17(15,16)13(4,5)6/h11H,7-10H2,1-6H3.
What are the key properties of 4-tert-butyl-1-tert-butylsulfonylpiperidine?
4-tert-butyl-1-tert-butylsulfonylpiperidine has a molecular weight of 261.43 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-tert-butylsulfonylpiperidine is sourced from PubChem (CID 20657894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).