4-[1-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine

C17H27N3O3S — CID 66755086

IUPAC4-[1-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine
SMILESO=S(=O)(CCC[C@@H]1CCCN1)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C17H27N3O3S/c21-24(22,14-2-4-15-3-1-9-19-15)20-12-7-17(8-13-20)23-16-5-10-18-11-6-16/h5-6,10-11,15,17,19H,1-4,7-9,12-14H2/t15-/m0/s1
InChIKeyGESIKZMLODXKNE-HNNXBMFYSA-N
MW353.49 g/mol
LogP1.79
Rot. Bonds7

About 4-[1-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine

4-[1-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine (PubChem CID 66755086) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 4-[1-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name4-[1-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine
PubChem CID66755086
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name4-[1-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine
SMILESO=S(=O)(CCC[C@@H]1CCCN1)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C17H27N3O3S/c21-24(22,14-2-4-15-3-1-9-19-15)20-12-7-17(8-13-20)23-16-5-10-18-11-6-16/h5-6,10-11,15,17,19H,1-4,7-9,12-14H2/t15-/m0/s1
InChIKeyGESIKZMLODXKNE-HNNXBMFYSA-N
XLogP1.79
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine?
The IUPAC name of 4-[1-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine (CID 66755086) is 4-[1-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine.
What is the SMILES notation for 4-[1-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine?
The canonical SMILES for 4-[1-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine is O=S(=O)(CCC[C@@H]1CCCN1)N1CCC(Oc2ccncc2)CC1.
What is the InChIKey of 4-[1-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine?
The InChIKey is GESIKZMLODXKNE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c21-24(22,14-2-4-15-3-1-9-19-15)20-12-7-17(8-13-20)23-16-5-10-18-11-6-16/h5-6,10-11,15,17,19H,1-4,7-9,12-14H2/t15-/m0/s1.
What are the key properties of 4-[1-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine?
4-[1-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine has a molecular weight of 353.49 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine is sourced from PubChem (CID 66755086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).