2-methyl-6-[(3R)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxypyridine

C18H20N2O3S — CID 129447780

IUPAC2-methyl-6-[(3R)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxypyridine
SMILESCc1cccc(O[C@@H]2CCN(S(=O)(=O)/C=C/c3ccccc3)C2)n1
InChIInChI=1S/C18H20N2O3S/c1-15-6-5-9-18(19-15)23-17-10-12-20(14-17)24(21,22)13-11-16-7-3-2-4-8-16/h2-9,11,13,17H,10,12,14H2,1H3/b13-11+/t17-/m1/s1
InChIKeyWNVQRASFAZHFRR-MLFXKNMZSA-N
MW344.44 g/mol
LogP2.84
Rot. Bonds5

About 2-methyl-6-[(3R)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxypyridine

2-methyl-6-[(3R)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxypyridine (PubChem CID 129447780) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-methyl-6-[(3R)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name2-methyl-6-[(3R)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxypyridine
PubChem CID129447780
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name2-methyl-6-[(3R)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxypyridine
SMILESCc1cccc(O[C@@H]2CCN(S(=O)(=O)/C=C/c3ccccc3)C2)n1
InChIInChI=1S/C18H20N2O3S/c1-15-6-5-9-18(19-15)23-17-10-12-20(14-17)24(21,22)13-11-16-7-3-2-4-8-16/h2-9,11,13,17H,10,12,14H2,1H3/b13-11+/t17-/m1/s1
InChIKeyWNVQRASFAZHFRR-MLFXKNMZSA-N
XLogP2.84
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxyquinoline
CID 91815893
2-[(3S)-1-benzylsulfonylpyrrolidin-3-yl]oxy-6-methylpyridine
CID 129416960
2-methoxy-6-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine
CID 117054818
2-[(3S)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridine
CID 129418000
2-(1-benzylsulfonylazetidin-3-yl)oxy-6-methylpyridine
CID 122249741
2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]triazole
CID 121178824
2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine
CID 117054779
1-(2-phenylethenylsulfonyl)-4-thiophen-3-yloxypiperidine
CID 171137315
1-[(6-methyl-2-pyridinyl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-1,4-diazepane
CID 74227072
2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine
CID 71799633
2,2-dimethyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 129418309
2-methyl-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxypyridine
CID 122249733

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(3R)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxypyridine?
The IUPAC name of 2-methyl-6-[(3R)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxypyridine (CID 129447780) is 2-methyl-6-[(3R)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 2-methyl-6-[(3R)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 2-methyl-6-[(3R)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxypyridine is Cc1cccc(O[C@@H]2CCN(S(=O)(=O)/C=C/c3ccccc3)C2)n1.
What is the InChIKey of 2-methyl-6-[(3R)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxypyridine?
The InChIKey is WNVQRASFAZHFRR-MLFXKNMZSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-15-6-5-9-18(19-15)23-17-10-12-20(14-17)24(21,22)13-11-16-7-3-2-4-8-16/h2-9,11,13,17H,10,12,14H2,1H3/b13-11+/t17-/m1/s1.
What are the key properties of 2-methyl-6-[(3R)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxypyridine?
2-methyl-6-[(3R)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxypyridine has a molecular weight of 344.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(3R)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 129447780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).