3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine

C16H18N2O3S — CID 129381862

IUPAC3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine
SMILESO=S(=O)(Cc1ccccc1)N1CC[C@@H](Oc2cccnc2)C1
InChIInChI=1S/C16H18N2O3S/c19-22(20,13-14-5-2-1-3-6-14)18-10-8-16(12-18)21-15-7-4-9-17-11-15/h1-7,9,11,16H,8,10,12-13H2/t16-/m1/s1
InChIKeySMIPIMKCIDGAOP-MRXNPFEDSA-N
MW318.40 g/mol
LogP2.06
Rot. Bonds5

About 3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine

3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine (PubChem CID 129381862) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine
PubChem CID129381862
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine
SMILESO=S(=O)(Cc1ccccc1)N1CC[C@@H](Oc2cccnc2)C1
InChIInChI=1S/C16H18N2O3S/c19-22(20,13-14-5-2-1-3-6-14)18-10-8-16(12-18)21-15-7-4-9-17-11-15/h1-7,9,11,16H,8,10,12-13H2/t16-/m1/s1
InChIKeySMIPIMKCIDGAOP-MRXNPFEDSA-N
XLogP2.06
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyridine
CID 90566210
3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine
CID 129325414
3-(1-benzylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638513
2-[(3S)-1-benzylsulfonylpyrrolidin-3-yl]oxy-6-methylpyridine
CID 129416960
2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122257583
4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylmorpholine
CID 75495327
4-[1-(1-benzylsulfonylpiperidin-4-yl)piperidin-4-yl]oxypyridine
CID 90617536
3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 75495315
3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129381835
(3R)-N-(2-methoxyethyl)-N-methyl-3-pyridin-3-yloxypyrrolidine-1-sulfonamide
CID 129425283
2-(1-benzylsulfonylpiperidin-3-yl)oxy-5-chloropyrimidine
CID 122259616
3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 75495330

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine?
The IUPAC name of 3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine (CID 129381862) is 3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine is O=S(=O)(Cc1ccccc1)N1CC[C@@H](Oc2cccnc2)C1.
What is the InChIKey of 3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine?
The InChIKey is SMIPIMKCIDGAOP-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18N2O3S/c19-22(20,13-14-5-2-1-3-6-14)18-10-8-16(12-18)21-15-7-4-9-17-11-15/h1-7,9,11,16H,8,10,12-13H2/t16-/m1/s1.
What are the key properties of 3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine?
3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine has a molecular weight of 318.40 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 129381862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).