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

C15H15N3O3S2 — CID 122249356

IUPAC2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
SMILESCCc1ccc(S(=O)(=O)N2CC(Oc3ncccc3C#N)C2)s1
InChIInChI=1S/C15H15N3O3S2/c1-2-13-5-6-14(22-13)23(19,20)18-9-12(10-18)21-15-11(8-16)4-3-7-17-15/h3-7,12H,2,9-10H2,1H3
InChIKeyCWBUQFYJGRJAET-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.03
Rot. Bonds5

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

2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile (PubChem CID 122249356) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
PubChem CID122249356
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC Name2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
SMILESCCc1ccc(S(=O)(=O)N2CC(Oc3ncccc3C#N)C2)s1
InChIInChI=1S/C15H15N3O3S2/c1-2-13-5-6-14(22-13)23(19,20)18-9-12(10-18)21-15-11(8-16)4-3-7-17-15/h3-7,12H,2,9-10H2,1H3
InChIKeyCWBUQFYJGRJAET-UHFFFAOYSA-N
XLogP2.03
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile (CID 122249356) is 2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile is CCc1ccc(S(=O)(=O)N2CC(Oc3ncccc3C#N)C2)s1.
What is the InChIKey of 2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile?
The InChIKey is CWBUQFYJGRJAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c1-2-13-5-6-14(22-13)23(19,20)18-9-12(10-18)21-15-11(8-16)4-3-7-17-15/h3-7,12H,2,9-10H2,1H3.
What are the key properties of 2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile?
2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile has a molecular weight of 349.44 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 122249356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).