2-[(3S)-1-benzylsulfonylpyrrolidin-3-yl]oxy-6-methylpyridine

C17H20N2O3S — CID 129416960

IUPAC2-[(3S)-1-benzylsulfonylpyrrolidin-3-yl]oxy-6-methylpyridine
SMILESCc1cccc(O[C@H]2CCN(S(=O)(=O)Cc3ccccc3)C2)n1
InChIInChI=1S/C17H20N2O3S/c1-14-6-5-9-17(18-14)22-16-10-11-19(12-16)23(20,21)13-15-7-3-2-4-8-15/h2-9,16H,10-13H2,1H3/t16-/m0/s1
InChIKeyJQIDPQXIPNVMOD-INIZCTEOSA-N
MW332.43 g/mol
LogP2.37
Rot. Bonds5

About 2-[(3S)-1-benzylsulfonylpyrrolidin-3-yl]oxy-6-methylpyridine

2-[(3S)-1-benzylsulfonylpyrrolidin-3-yl]oxy-6-methylpyridine (PubChem CID 129416960) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[(3S)-1-benzylsulfonylpyrrolidin-3-yl]oxy-6-methylpyridine.

Molecular Properties

Compound Name2-[(3S)-1-benzylsulfonylpyrrolidin-3-yl]oxy-6-methylpyridine
PubChem CID129416960
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-[(3S)-1-benzylsulfonylpyrrolidin-3-yl]oxy-6-methylpyridine
SMILESCc1cccc(O[C@H]2CCN(S(=O)(=O)Cc3ccccc3)C2)n1
InChIInChI=1S/C17H20N2O3S/c1-14-6-5-9-17(18-14)22-16-10-11-19(12-16)23(20,21)13-15-7-3-2-4-8-15/h2-9,16H,10-13H2,1H3/t16-/m0/s1
InChIKeyJQIDPQXIPNVMOD-INIZCTEOSA-N
XLogP2.37
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzylsulfonylazetidin-3-yl)oxy-6-methylpyridine
CID 122249741
3-(1-benzylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638513
2-methyl-6-[(3R)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxypyridine
CID 129447780
3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine
CID 129381862
2-methyl-4-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]oxypyrimidine
CID 122261115
N-(1-benzylsulfonylpiperidin-4-yl)-4,6-dimethylpyrimidin-2-amine
CID 133306595
2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122257583
2-[(3S)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridine
CID 129418000
2-methyl-4-[1-[(4-methylphenyl)methylsulfonyl]piperidin-3-yl]oxypyrimidine
CID 122261146
3-methyl-6-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]oxypyridazine
CID 90559757
8-[1-[(4-chlorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxyquinoline
CID 121157270
4-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]oxy-2,6-dimethylpyrimidine
CID 122260610

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-benzylsulfonylpyrrolidin-3-yl]oxy-6-methylpyridine?
The IUPAC name of 2-[(3S)-1-benzylsulfonylpyrrolidin-3-yl]oxy-6-methylpyridine (CID 129416960) is 2-[(3S)-1-benzylsulfonylpyrrolidin-3-yl]oxy-6-methylpyridine.
What is the SMILES notation for 2-[(3S)-1-benzylsulfonylpyrrolidin-3-yl]oxy-6-methylpyridine?
The canonical SMILES for 2-[(3S)-1-benzylsulfonylpyrrolidin-3-yl]oxy-6-methylpyridine is Cc1cccc(O[C@H]2CCN(S(=O)(=O)Cc3ccccc3)C2)n1.
What is the InChIKey of 2-[(3S)-1-benzylsulfonylpyrrolidin-3-yl]oxy-6-methylpyridine?
The InChIKey is JQIDPQXIPNVMOD-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-14-6-5-9-17(18-14)22-16-10-11-19(12-16)23(20,21)13-15-7-3-2-4-8-15/h2-9,16H,10-13H2,1H3/t16-/m0/s1.
What are the key properties of 2-[(3S)-1-benzylsulfonylpyrrolidin-3-yl]oxy-6-methylpyridine?
2-[(3S)-1-benzylsulfonylpyrrolidin-3-yl]oxy-6-methylpyridine has a molecular weight of 332.43 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-benzylsulfonylpyrrolidin-3-yl]oxy-6-methylpyridine is sourced from PubChem (CID 129416960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).