2-tert-butyl-5-(piperidin-4-ylsulfonylmethyl)pyridine

C15H24N2O2S — CID 167894950

IUPAC2-tert-butyl-5-(piperidin-4-ylsulfonylmethyl)pyridine
SMILESCC(C)(C)c1ccc(CS(=O)(=O)C2CCNCC2)cn1
InChIInChI=1S/C15H24N2O2S/c1-15(2,3)14-5-4-12(10-17-14)11-20(18,19)13-6-8-16-9-7-13/h4-5,10,13,16H,6-9,11H2,1-3H3
InChIKeyQNOQOPGGVZNCEH-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.05
Rot. Bonds3

About 2-tert-butyl-5-(piperidin-4-ylsulfonylmethyl)pyridine

2-tert-butyl-5-(piperidin-4-ylsulfonylmethyl)pyridine (PubChem CID 167894950) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-tert-butyl-5-(piperidin-4-ylsulfonylmethyl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-5-(piperidin-4-ylsulfonylmethyl)pyridine
PubChem CID167894950
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-tert-butyl-5-(piperidin-4-ylsulfonylmethyl)pyridine
SMILESCC(C)(C)c1ccc(CS(=O)(=O)C2CCNCC2)cn1
InChIInChI=1S/C15H24N2O2S/c1-15(2,3)14-5-4-12(10-17-14)11-20(18,19)13-6-8-16-9-7-13/h4-5,10,13,16H,6-9,11H2,1-3H3
InChIKeyQNOQOPGGVZNCEH-UHFFFAOYSA-N
XLogP2.05
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(piperidin-4-ylsulfonylmethyl)pyridine?
The IUPAC name of 2-tert-butyl-5-(piperidin-4-ylsulfonylmethyl)pyridine (CID 167894950) is 2-tert-butyl-5-(piperidin-4-ylsulfonylmethyl)pyridine.
What is the SMILES notation for 2-tert-butyl-5-(piperidin-4-ylsulfonylmethyl)pyridine?
The canonical SMILES for 2-tert-butyl-5-(piperidin-4-ylsulfonylmethyl)pyridine is CC(C)(C)c1ccc(CS(=O)(=O)C2CCNCC2)cn1.
What is the InChIKey of 2-tert-butyl-5-(piperidin-4-ylsulfonylmethyl)pyridine?
The InChIKey is QNOQOPGGVZNCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-15(2,3)14-5-4-12(10-17-14)11-20(18,19)13-6-8-16-9-7-13/h4-5,10,13,16H,6-9,11H2,1-3H3.
What are the key properties of 2-tert-butyl-5-(piperidin-4-ylsulfonylmethyl)pyridine?
2-tert-butyl-5-(piperidin-4-ylsulfonylmethyl)pyridine has a molecular weight of 296.44 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(piperidin-4-ylsulfonylmethyl)pyridine is sourced from PubChem (CID 167894950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).