1-tert-butyl-4-(methylsulfonylmethyl)piperidine

C11H23NO2S — CID 59468988

IUPAC1-tert-butyl-4-(methylsulfonylmethyl)piperidine
SMILESCC(C)(C)N1CCC(CS(C)(=O)=O)CC1
InChIInChI=1S/C11H23NO2S/c1-11(2,3)12-7-5-10(6-8-12)9-15(4,13)14/h10H,5-9H2,1-4H3
InChIKeyQZGNWLDZOSNXGK-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.54
Rot. Bonds2

About 1-tert-butyl-4-(methylsulfonylmethyl)piperidine

1-tert-butyl-4-(methylsulfonylmethyl)piperidine (PubChem CID 59468988) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-tert-butyl-4-(methylsulfonylmethyl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-(methylsulfonylmethyl)piperidine
PubChem CID59468988
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name1-tert-butyl-4-(methylsulfonylmethyl)piperidine
SMILESCC(C)(C)N1CCC(CS(C)(=O)=O)CC1
InChIInChI=1S/C11H23NO2S/c1-11(2,3)12-7-5-10(6-8-12)9-15(4,13)14/h10H,5-9H2,1-4H3
InChIKeyQZGNWLDZOSNXGK-UHFFFAOYSA-N
XLogP1.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.54
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-(methylsulfonylmethyl)piperidine?
The IUPAC name of 1-tert-butyl-4-(methylsulfonylmethyl)piperidine (CID 59468988) is 1-tert-butyl-4-(methylsulfonylmethyl)piperidine.
What is the SMILES notation for 1-tert-butyl-4-(methylsulfonylmethyl)piperidine?
The canonical SMILES for 1-tert-butyl-4-(methylsulfonylmethyl)piperidine is CC(C)(C)N1CCC(CS(C)(=O)=O)CC1.
What is the InChIKey of 1-tert-butyl-4-(methylsulfonylmethyl)piperidine?
The InChIKey is QZGNWLDZOSNXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-11(2,3)12-7-5-10(6-8-12)9-15(4,13)14/h10H,5-9H2,1-4H3.
What are the key properties of 1-tert-butyl-4-(methylsulfonylmethyl)piperidine?
1-tert-butyl-4-(methylsulfonylmethyl)piperidine has a molecular weight of 233.38 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(methylsulfonylmethyl)piperidine is sourced from PubChem (CID 59468988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).