4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridine

C12H18N2O3S — CID 121017469

IUPAC4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridine
SMILESCC(C)S(=O)(=O)N1CCC(Oc2ccncc2)C1
InChIInChI=1S/C12H18N2O3S/c1-10(2)18(15,16)14-8-5-12(9-14)17-11-3-6-13-7-4-11/h3-4,6-7,10,12H,5,8-9H2,1-2H3
InChIKeyBOEYLRZACGWFBE-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.27
Rot. Bonds4

About 4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridine

4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridine (PubChem CID 121017469) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridine.

Molecular Properties

Compound Name4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridine
PubChem CID121017469
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridine
SMILESCC(C)S(=O)(=O)N1CCC(Oc2ccncc2)C1
InChIInChI=1S/C12H18N2O3S/c1-10(2)18(15,16)14-8-5-12(9-14)17-11-3-6-13-7-4-11/h3-4,6-7,10,12H,5,8-9H2,1-2H3
InChIKeyBOEYLRZACGWFBE-UHFFFAOYSA-N
XLogP1.27
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 124590329
3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638533
4-(1-methylpiperidin-4-yl)oxypyridine
CID 18723159
4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxy-1-propan-2-ylsulfonylpiperidine
CID 67448980
5-bromo-3-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 99578182
3-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrazine-2-carbonitrile
CID 91628098
5-chloro-2-(1-propan-2-ylsulfonylpiperidin-4-yl)oxypyridine
CID 71798967
2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one
CID 124568628
4-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]oxypyridine
CID 122256039
2-(4-propan-2-ylsulfonylphenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 119100727
5-fluoro-2-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122258659
2-(3-pyridin-4-yloxypyrrolidin-1-yl)acetamide
CID 175996413

Frequently Asked Questions

What is the IUPAC name of 4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridine?
The IUPAC name of 4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridine (CID 121017469) is 4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridine.
What is the SMILES notation for 4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridine?
The canonical SMILES for 4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridine is CC(C)S(=O)(=O)N1CCC(Oc2ccncc2)C1.
What is the InChIKey of 4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridine?
The InChIKey is BOEYLRZACGWFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-10(2)18(15,16)14-8-5-12(9-14)17-11-3-6-13-7-4-11/h3-4,6-7,10,12H,5,8-9H2,1-2H3.
What are the key properties of 4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridine?
4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridine has a molecular weight of 270.35 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridine is sourced from PubChem (CID 121017469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).