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

C12H25NO2S — CID 58394701

IUPAC3-tert-butyl-1-(2-methylsulfonylethyl)piperidine
SMILESCC(C)(C)C1CCCN(CCS(C)(=O)=O)C1
InChIInChI=1S/C12H25NO2S/c1-12(2,3)11-6-5-7-13(10-11)8-9-16(4,14)15/h11H,5-10H2,1-4H3
InChIKeyFDZKFYMBJIHWCZ-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.79
Rot. Bonds3

About 3-tert-butyl-1-(2-methylsulfonylethyl)piperidine

3-tert-butyl-1-(2-methylsulfonylethyl)piperidine (PubChem CID 58394701) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 3-tert-butyl-1-(2-methylsulfonylethyl)piperidine.

Molecular Properties

Compound Name3-tert-butyl-1-(2-methylsulfonylethyl)piperidine
PubChem CID58394701
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name3-tert-butyl-1-(2-methylsulfonylethyl)piperidine
SMILESCC(C)(C)C1CCCN(CCS(C)(=O)=O)C1
InChIInChI=1S/C12H25NO2S/c1-12(2,3)11-6-5-7-13(10-11)8-9-16(4,14)15/h11H,5-10H2,1-4H3
InChIKeyFDZKFYMBJIHWCZ-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2-methylsulfonylethyl)piperidine?
The IUPAC name of 3-tert-butyl-1-(2-methylsulfonylethyl)piperidine (CID 58394701) is 3-tert-butyl-1-(2-methylsulfonylethyl)piperidine.
What is the SMILES notation for 3-tert-butyl-1-(2-methylsulfonylethyl)piperidine?
The canonical SMILES for 3-tert-butyl-1-(2-methylsulfonylethyl)piperidine is CC(C)(C)C1CCCN(CCS(C)(=O)=O)C1.
What is the InChIKey of 3-tert-butyl-1-(2-methylsulfonylethyl)piperidine?
The InChIKey is FDZKFYMBJIHWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-12(2,3)11-6-5-7-13(10-11)8-9-16(4,14)15/h11H,5-10H2,1-4H3.
What are the key properties of 3-tert-butyl-1-(2-methylsulfonylethyl)piperidine?
3-tert-butyl-1-(2-methylsulfonylethyl)piperidine has a molecular weight of 247.40 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2-methylsulfonylethyl)piperidine is sourced from PubChem (CID 58394701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).