2-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine

C13H14N2O3S2 — CID 122247367

IUPAC2-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine
SMILESCc1ccc(S(=O)(=O)N2CC(Oc3ccccn3)C2)s1
InChIInChI=1S/C13H14N2O3S2/c1-10-5-6-13(19-10)20(16,17)15-8-11(9-15)18-12-4-2-3-7-14-12/h2-7,11H,8-9H2,1H3
InChIKeyLOFFCQKWAUZWRX-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.90
Rot. Bonds4

About 2-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine

2-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine (PubChem CID 122247367) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine.

Molecular Properties

Compound Name2-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine
PubChem CID122247367
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC Name2-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine
SMILESCc1ccc(S(=O)(=O)N2CC(Oc3ccccn3)C2)s1
InChIInChI=1S/C13H14N2O3S2/c1-10-5-6-13(19-10)20(16,17)15-8-11(9-15)18-12-4-2-3-7-14-12/h2-7,11H,8-9H2,1H3
InChIKeyLOFFCQKWAUZWRX-UHFFFAOYSA-N
XLogP1.90
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine?
The IUPAC name of 2-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine (CID 122247367) is 2-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine.
What is the SMILES notation for 2-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine?
The canonical SMILES for 2-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine is Cc1ccc(S(=O)(=O)N2CC(Oc3ccccn3)C2)s1.
What is the InChIKey of 2-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine?
The InChIKey is LOFFCQKWAUZWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-10-5-6-13(19-10)20(16,17)15-8-11(9-15)18-12-4-2-3-7-14-12/h2-7,11H,8-9H2,1H3.
What are the key properties of 2-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine?
2-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine has a molecular weight of 310.40 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine is sourced from PubChem (CID 122247367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).