6-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile

C14H13N3O3S2 — CID 122248959

IUPAC6-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
SMILESCc1ccc(S(=O)(=O)N2CC(Oc3ccc(C#N)cn3)C2)s1
InChIInChI=1S/C14H13N3O3S2/c1-10-2-5-14(21-10)22(18,19)17-8-12(9-17)20-13-4-3-11(6-15)7-16-13/h2-5,7,12H,8-9H2,1H3
InChIKeyQZIXMUJBATWFNU-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.78
Rot. Bonds4

About 6-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile

6-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile (PubChem CID 122248959) has the molecular formula C14H13N3O3S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 6-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
PubChem CID122248959
Molecular FormulaC14H13N3O3S2
Molecular Weight335.41 g/mol
Exact Mass335.04
IUPAC Name6-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
SMILESCc1ccc(S(=O)(=O)N2CC(Oc3ccc(C#N)cn3)C2)s1
InChIInChI=1S/C14H13N3O3S2/c1-10-2-5-14(21-10)22(18,19)17-8-12(9-17)20-13-4-3-11(6-15)7-16-13/h2-5,7,12H,8-9H2,1H3
InChIKeyQZIXMUJBATWFNU-UHFFFAOYSA-N
XLogP1.78
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine
CID 122247367
6-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248978
6-[1-(4-propylphenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248982
6-[1-(3-nitrophenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248957
ethyl 2-[3-[(5-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoacetate
CID 122248678
2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636381
5-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine
CID 122248560
3-methyl-6-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 100629815
3-(cyclopropylmethoxy)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
CID 121197707
6-[1-(cyclopentanecarbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248667
(7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-(5-methylthiophen-2-yl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 71543793
6-[1-(2-ethoxyacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248677

Frequently Asked Questions

What is the IUPAC name of 6-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 6-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile (CID 122248959) is 6-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile is Cc1ccc(S(=O)(=O)N2CC(Oc3ccc(C#N)cn3)C2)s1.
What is the InChIKey of 6-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile?
The InChIKey is QZIXMUJBATWFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S2/c1-10-2-5-14(21-10)22(18,19)17-8-12(9-17)20-13-4-3-11(6-15)7-16-13/h2-5,7,12H,8-9H2,1H3.
What are the key properties of 6-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile?
6-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile has a molecular weight of 335.41 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 122248959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).