1-tert-butyl-4-(2-methylsulfonylethyl)piperidine

C12H25NO2S — CID 174193485

IUPAC1-tert-butyl-4-(2-methylsulfonylethyl)piperidine
SMILESCC(C)(C)N1CCC(CCS(C)(=O)=O)CC1
InChIInChI=1S/C12H25NO2S/c1-12(2,3)13-8-5-11(6-9-13)7-10-16(4,14)15/h11H,5-10H2,1-4H3
InChIKeyYTAYTZBZEQGEEU-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.93
Rot. Bonds3

About 1-tert-butyl-4-(2-methylsulfonylethyl)piperidine

1-tert-butyl-4-(2-methylsulfonylethyl)piperidine (PubChem CID 174193485) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-methylsulfonylethyl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-(2-methylsulfonylethyl)piperidine
PubChem CID174193485
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name1-tert-butyl-4-(2-methylsulfonylethyl)piperidine
SMILESCC(C)(C)N1CCC(CCS(C)(=O)=O)CC1
InChIInChI=1S/C12H25NO2S/c1-12(2,3)13-8-5-11(6-9-13)7-10-16(4,14)15/h11H,5-10H2,1-4H3
InChIKeyYTAYTZBZEQGEEU-UHFFFAOYSA-N
XLogP1.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.93
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-(2-methylsulfonylethyl)piperidine?
The IUPAC name of 1-tert-butyl-4-(2-methylsulfonylethyl)piperidine (CID 174193485) is 1-tert-butyl-4-(2-methylsulfonylethyl)piperidine.
What is the SMILES notation for 1-tert-butyl-4-(2-methylsulfonylethyl)piperidine?
The canonical SMILES for 1-tert-butyl-4-(2-methylsulfonylethyl)piperidine is CC(C)(C)N1CCC(CCS(C)(=O)=O)CC1.
What is the InChIKey of 1-tert-butyl-4-(2-methylsulfonylethyl)piperidine?
The InChIKey is YTAYTZBZEQGEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-12(2,3)13-8-5-11(6-9-13)7-10-16(4,14)15/h11H,5-10H2,1-4H3.
What are the key properties of 1-tert-butyl-4-(2-methylsulfonylethyl)piperidine?
1-tert-butyl-4-(2-methylsulfonylethyl)piperidine has a molecular weight of 247.40 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-methylsulfonylethyl)piperidine is sourced from PubChem (CID 174193485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).