6-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile

C19H21N3O3S — CID 122248978

IUPAC6-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CC(Oc3ccc(C#N)cn3)C2)cc1
InChIInChI=1S/C19H21N3O3S/c1-19(2,3)15-5-7-17(8-6-15)26(23,24)22-12-16(13-22)25-18-9-4-14(10-20)11-21-18/h4-9,11,16H,12-13H2,1-3H3
InChIKeyJHHAMRPDJKXOKP-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.70
Rot. Bonds4

About 6-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile

6-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile (PubChem CID 122248978) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 6-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
PubChem CID122248978
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name6-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CC(Oc3ccc(C#N)cn3)C2)cc1
InChIInChI=1S/C19H21N3O3S/c1-19(2,3)15-5-7-17(8-6-15)26(23,24)22-12-16(13-22)25-18-9-4-14(10-20)11-21-18/h4-9,11,16H,12-13H2,1-3H3
InChIKeyJHHAMRPDJKXOKP-UHFFFAOYSA-N
XLogP2.70
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[8-(4-tert-butylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridine-3-carbonitrile
CID 25192692
6-[1-(4-propylphenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248982
6-[1-(3-nitrophenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248957
6-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248959
N-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]sulfonylphenyl]acetamide
CID 122247737
2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252604
4-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]sulfonylbenzonitrile
CID 90627782
5-chloro-2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122248528
1-[4-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone
CID 122248570
ethyl 2-[3-[(5-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoacetate
CID 122248678
4-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylbenzonitrile
CID 100630089
2-[1-(4-methoxy-3-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 122247741

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 6-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile (CID 122248978) is 6-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile is CC(C)(C)c1ccc(S(=O)(=O)N2CC(Oc3ccc(C#N)cn3)C2)cc1.
What is the InChIKey of 6-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile?
The InChIKey is JHHAMRPDJKXOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-19(2,3)15-5-7-17(8-6-15)26(23,24)22-12-16(13-22)25-18-9-4-14(10-20)11-21-18/h4-9,11,16H,12-13H2,1-3H3.
What are the key properties of 6-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile?
6-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile has a molecular weight of 371.46 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 122248978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).