2-tert-butylsulfanyl-3-(1-propan-2-ylpiperidin-2-yl)pyridine

C17H28N2S — CID 102542244

IUPAC2-tert-butylsulfanyl-3-(1-propan-2-ylpiperidin-2-yl)pyridine
SMILESCC(C)N1CCCCC1c1cccnc1SC(C)(C)C
InChIInChI=1S/C17H28N2S/c1-13(2)19-12-7-6-10-15(19)14-9-8-11-18-16(14)20-17(3,4)5/h8-9,11,13,15H,6-7,10,12H2,1-5H3
InChIKeyAQOOFGUYJQJQQA-UHFFFAOYSA-N
MW292.49 g/mol
LogP4.91
Rot. Bonds3

About 2-tert-butylsulfanyl-3-(1-propan-2-ylpiperidin-2-yl)pyridine

2-tert-butylsulfanyl-3-(1-propan-2-ylpiperidin-2-yl)pyridine (PubChem CID 102542244) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-3-(1-propan-2-ylpiperidin-2-yl)pyridine.

Molecular Properties

Compound Name2-tert-butylsulfanyl-3-(1-propan-2-ylpiperidin-2-yl)pyridine
PubChem CID102542244
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name2-tert-butylsulfanyl-3-(1-propan-2-ylpiperidin-2-yl)pyridine
SMILESCC(C)N1CCCCC1c1cccnc1SC(C)(C)C
InChIInChI=1S/C17H28N2S/c1-13(2)19-12-7-6-10-15(19)14-9-8-11-18-16(14)20-17(3,4)5/h8-9,11,13,15H,6-7,10,12H2,1-5H3
InChIKeyAQOOFGUYJQJQQA-UHFFFAOYSA-N
XLogP4.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-3-(1-propan-2-ylpiperidin-2-yl)pyridine?
The IUPAC name of 2-tert-butylsulfanyl-3-(1-propan-2-ylpiperidin-2-yl)pyridine (CID 102542244) is 2-tert-butylsulfanyl-3-(1-propan-2-ylpiperidin-2-yl)pyridine.
What is the SMILES notation for 2-tert-butylsulfanyl-3-(1-propan-2-ylpiperidin-2-yl)pyridine?
The canonical SMILES for 2-tert-butylsulfanyl-3-(1-propan-2-ylpiperidin-2-yl)pyridine is CC(C)N1CCCCC1c1cccnc1SC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-3-(1-propan-2-ylpiperidin-2-yl)pyridine?
The InChIKey is AQOOFGUYJQJQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-13(2)19-12-7-6-10-15(19)14-9-8-11-18-16(14)20-17(3,4)5/h8-9,11,13,15H,6-7,10,12H2,1-5H3.
What are the key properties of 2-tert-butylsulfanyl-3-(1-propan-2-ylpiperidin-2-yl)pyridine?
2-tert-butylsulfanyl-3-(1-propan-2-ylpiperidin-2-yl)pyridine has a molecular weight of 292.49 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-3-(1-propan-2-ylpiperidin-2-yl)pyridine is sourced from PubChem (CID 102542244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).