4-[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine

C15H20N4O3S — CID 124590329

IUPAC4-[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
SMILESCC(C)n1cnc(S(=O)(=O)N2CC[C@H](Oc3ccncc3)C2)c1
InChIInChI=1S/C15H20N4O3S/c1-12(2)18-10-15(17-11-18)23(20,21)19-8-5-14(9-19)22-13-3-6-16-7-4-13/h3-4,6-7,10-12,14H,5,8-9H2,1-2H3/t14-/m0/s1
InChIKeySGFOXSVARIBKPE-AWEZNQCLSA-N
MW336.42 g/mol
LogP1.70
Rot. Bonds5

About 4-[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine

4-[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine (PubChem CID 124590329) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 4-[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name4-[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
PubChem CID124590329
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name4-[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
SMILESCC(C)n1cnc(S(=O)(=O)N2CC[C@H](Oc3ccncc3)C2)c1
InChIInChI=1S/C15H20N4O3S/c1-12(2)18-10-15(17-11-18)23(20,21)19-8-5-14(9-19)22-13-3-6-16-7-4-13/h3-4,6-7,10-12,14H,5,8-9H2,1-2H3/t14-/m0/s1
InChIKeySGFOXSVARIBKPE-AWEZNQCLSA-N
XLogP1.70
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine?
The IUPAC name of 4-[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine (CID 124590329) is 4-[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 4-[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 4-[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine is CC(C)n1cnc(S(=O)(=O)N2CC[C@H](Oc3ccncc3)C2)c1.
What is the InChIKey of 4-[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine?
The InChIKey is SGFOXSVARIBKPE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-12(2)18-10-15(17-11-18)23(20,21)19-8-5-14(9-19)22-13-3-6-16-7-4-13/h3-4,6-7,10-12,14H,5,8-9H2,1-2H3/t14-/m0/s1.
What are the key properties of 4-[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine?
4-[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine has a molecular weight of 336.42 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 124590329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).