2-methyl-3-[(3R)-1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine

C17H20N2O5S2 — CID 129337329

IUPAC2-methyl-3-[(3R)-1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
SMILESCc1ncccc1O[C@@H]1CCN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1
InChIInChI=1S/C17H20N2O5S2/c1-13-17(7-4-9-18-13)24-14-8-10-19(12-14)26(22,23)16-6-3-5-15(11-16)25(2,20)21/h3-7,9,11,14H,8,10,12H2,1-2H3/t14-/m1/s1
InChIKeySCUOUJHEARNDBG-CQSZACIVSA-N
MW396.49 g/mol
LogP1.64
Rot. Bonds5

About 2-methyl-3-[(3R)-1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine

2-methyl-3-[(3R)-1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine (PubChem CID 129337329) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-methyl-3-[(3R)-1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name2-methyl-3-[(3R)-1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
PubChem CID129337329
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC Name2-methyl-3-[(3R)-1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
SMILESCc1ncccc1O[C@@H]1CCN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1
InChIInChI=1S/C17H20N2O5S2/c1-13-17(7-4-9-18-13)24-14-8-10-19(12-14)26(22,23)16-6-3-5-15(11-16)25(2,20)21/h3-7,9,11,14H,8,10,12H2,1-2H3/t14-/m1/s1
InChIKeySCUOUJHEARNDBG-CQSZACIVSA-N
XLogP1.64
TPSA93.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-[1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 128998572
1,3-dimethyl-5-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyrazolo[5,4-b]pyridine
CID 128999371
5-chloro-3-[(3S)-3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 129328651
2-methyl-3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129329420
3-[(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-2-methylpyridine
CID 129338982
8-[(3S)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoline
CID 124760482
4-methyl-3-[(3S)-3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylbenzonitrile
CID 129337794
8-[1-[3-(4-chlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]oxyquinoline
CID 121157275
3-chloro-4-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylbenzonitrile
CID 128998573
3-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-2-pyrrolidin-1-ylpyridine
CID 124888903
2,3-dichloro-5-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridine
CID 124741053
8-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxyquinoline
CID 124759299

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3R)-1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine?
The IUPAC name of 2-methyl-3-[(3R)-1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine (CID 129337329) is 2-methyl-3-[(3R)-1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 2-methyl-3-[(3R)-1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 2-methyl-3-[(3R)-1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine is Cc1ncccc1O[C@@H]1CCN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1.
What is the InChIKey of 2-methyl-3-[(3R)-1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine?
The InChIKey is SCUOUJHEARNDBG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-13-17(7-4-9-18-13)24-14-8-10-19(12-14)26(22,23)16-6-3-5-15(11-16)25(2,20)21/h3-7,9,11,14H,8,10,12H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-methyl-3-[(3R)-1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine?
2-methyl-3-[(3R)-1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine has a molecular weight of 396.49 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3R)-1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 129337329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).