2-(1-butylsulfonylazetidin-3-yl)oxy-6-(trifluoromethyl)pyridine

C13H17F3N2O3S — CID 122252114

IUPAC2-(1-butylsulfonylazetidin-3-yl)oxy-6-(trifluoromethyl)pyridine
SMILESCCCCS(=O)(=O)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H17F3N2O3S/c1-2-3-7-22(19,20)18-8-10(9-18)21-12-6-4-5-11(17-12)13(14,15)16/h4-6,10H,2-3,7-9H2,1H3
InChIKeyGUZOPDNFKHCTPN-UHFFFAOYSA-N
MW338.35 g/mol
LogP2.29
Rot. Bonds6

About 2-(1-butylsulfonylazetidin-3-yl)oxy-6-(trifluoromethyl)pyridine

2-(1-butylsulfonylazetidin-3-yl)oxy-6-(trifluoromethyl)pyridine (PubChem CID 122252114) has the molecular formula C13H17F3N2O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-(1-butylsulfonylazetidin-3-yl)oxy-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(1-butylsulfonylazetidin-3-yl)oxy-6-(trifluoromethyl)pyridine
PubChem CID122252114
Molecular FormulaC13H17F3N2O3S
Molecular Weight338.35 g/mol
Exact Mass338.09
IUPAC Name2-(1-butylsulfonylazetidin-3-yl)oxy-6-(trifluoromethyl)pyridine
SMILESCCCCS(=O)(=O)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H17F3N2O3S/c1-2-3-7-22(19,20)18-8-10(9-18)21-12-6-4-5-11(17-12)13(14,15)16/h4-6,10H,2-3,7-9H2,1H3
InChIKeyGUZOPDNFKHCTPN-UHFFFAOYSA-N
XLogP2.29
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butylsulfonylazetidin-3-yl)oxy-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-(1-butylsulfonylazetidin-3-yl)oxy-6-(trifluoromethyl)pyridine (CID 122252114) is 2-(1-butylsulfonylazetidin-3-yl)oxy-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(1-butylsulfonylazetidin-3-yl)oxy-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(1-butylsulfonylazetidin-3-yl)oxy-6-(trifluoromethyl)pyridine is CCCCS(=O)(=O)N1CC(Oc2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of 2-(1-butylsulfonylazetidin-3-yl)oxy-6-(trifluoromethyl)pyridine?
The InChIKey is GUZOPDNFKHCTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3S/c1-2-3-7-22(19,20)18-8-10(9-18)21-12-6-4-5-11(17-12)13(14,15)16/h4-6,10H,2-3,7-9H2,1H3.
What are the key properties of 2-(1-butylsulfonylazetidin-3-yl)oxy-6-(trifluoromethyl)pyridine?
2-(1-butylsulfonylazetidin-3-yl)oxy-6-(trifluoromethyl)pyridine has a molecular weight of 338.35 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butylsulfonylazetidin-3-yl)oxy-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 122252114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).