3-tert-butyl-1-methylsulfonylpiperidine

C10H21NO2S — CID 59148071

IUPAC3-tert-butyl-1-methylsulfonylpiperidine
SMILESCC(C)(C)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H21NO2S/c1-10(2,3)9-6-5-7-11(8-9)14(4,12)13/h9H,5-8H2,1-4H3
InChIKeyXBBFMFFJRYGXFI-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.70
Rot. Bonds1

About 3-tert-butyl-1-methylsulfonylpiperidine

3-tert-butyl-1-methylsulfonylpiperidine (PubChem CID 59148071) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 3-tert-butyl-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name3-tert-butyl-1-methylsulfonylpiperidine
PubChem CID59148071
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name3-tert-butyl-1-methylsulfonylpiperidine
SMILESCC(C)(C)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H21NO2S/c1-10(2,3)9-6-5-7-11(8-9)14(4,12)13/h9H,5-8H2,1-4H3
InChIKeyXBBFMFFJRYGXFI-UHFFFAOYSA-N
XLogP1.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methylsulfonylpiperidine?
The IUPAC name of 3-tert-butyl-1-methylsulfonylpiperidine (CID 59148071) is 3-tert-butyl-1-methylsulfonylpiperidine.
What is the SMILES notation for 3-tert-butyl-1-methylsulfonylpiperidine?
The canonical SMILES for 3-tert-butyl-1-methylsulfonylpiperidine is CC(C)(C)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 3-tert-butyl-1-methylsulfonylpiperidine?
The InChIKey is XBBFMFFJRYGXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-10(2,3)9-6-5-7-11(8-9)14(4,12)13/h9H,5-8H2,1-4H3.
What are the key properties of 3-tert-butyl-1-methylsulfonylpiperidine?
3-tert-butyl-1-methylsulfonylpiperidine has a molecular weight of 219.35 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methylsulfonylpiperidine is sourced from PubChem (CID 59148071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).