2-tert-butyl-3-methylsulfonylpiperidine

C10H21NO2S — CID 59172111

IUPAC2-tert-butyl-3-methylsulfonylpiperidine
SMILESCC(C)(C)C1NCCCC1S(C)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-10(2,3)9-8(14(4,12)13)6-5-7-11-9/h8-9,11H,5-7H2,1-4H3
InChIKeyLYAJALQGCDFPOZ-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.20
Rot. Bonds1

About 2-tert-butyl-3-methylsulfonylpiperidine

2-tert-butyl-3-methylsulfonylpiperidine (PubChem CID 59172111) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-tert-butyl-3-methylsulfonylpiperidine.

Molecular Properties

Compound Name2-tert-butyl-3-methylsulfonylpiperidine
PubChem CID59172111
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-tert-butyl-3-methylsulfonylpiperidine
SMILESCC(C)(C)C1NCCCC1S(C)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-10(2,3)9-8(14(4,12)13)6-5-7-11-9/h8-9,11H,5-7H2,1-4H3
InChIKeyLYAJALQGCDFPOZ-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-methylsulfonylpiperidine?
The IUPAC name of 2-tert-butyl-3-methylsulfonylpiperidine (CID 59172111) is 2-tert-butyl-3-methylsulfonylpiperidine.
What is the SMILES notation for 2-tert-butyl-3-methylsulfonylpiperidine?
The canonical SMILES for 2-tert-butyl-3-methylsulfonylpiperidine is CC(C)(C)C1NCCCC1S(C)(=O)=O.
What is the InChIKey of 2-tert-butyl-3-methylsulfonylpiperidine?
The InChIKey is LYAJALQGCDFPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-10(2,3)9-8(14(4,12)13)6-5-7-11-9/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 2-tert-butyl-3-methylsulfonylpiperidine?
2-tert-butyl-3-methylsulfonylpiperidine has a molecular weight of 219.35 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methylsulfonylpiperidine is sourced from PubChem (CID 59172111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).