2-(1-ethylsulfonylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]-1,3,4-oxadiazole

C13H22N4O3S — CID 124980247

IUPAC2-(1-ethylsulfonylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]-1,3,4-oxadiazole
SMILESCCS(=O)(=O)N1CCC(c2nnc([C@H]3CCCN3)o2)CC1
InChIInChI=1S/C13H22N4O3S/c1-2-21(18,19)17-8-5-10(6-9-17)12-15-16-13(20-12)11-4-3-7-14-11/h10-11,14H,2-9H2,1H3/t11-/m1/s1
InChIKeyMHKICLPXKWVARU-LLVKDONJSA-N
MW314.41 g/mol
LogP1.02
Rot. Bonds4

About 2-(1-ethylsulfonylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]-1,3,4-oxadiazole

2-(1-ethylsulfonylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]-1,3,4-oxadiazole (PubChem CID 124980247) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(1-ethylsulfonylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-ethylsulfonylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]-1,3,4-oxadiazole
PubChem CID124980247
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name2-(1-ethylsulfonylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]-1,3,4-oxadiazole
SMILESCCS(=O)(=O)N1CCC(c2nnc([C@H]3CCCN3)o2)CC1
InChIInChI=1S/C13H22N4O3S/c1-2-21(18,19)17-8-5-10(6-9-17)12-15-16-13(20-12)11-4-3-7-14-11/h10-11,14H,2-9H2,1H3/t11-/m1/s1
InChIKeyMHKICLPXKWVARU-LLVKDONJSA-N
XLogP1.02
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylsulfonylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(1-ethylsulfonylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]-1,3,4-oxadiazole (CID 124980247) is 2-(1-ethylsulfonylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-ethylsulfonylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-ethylsulfonylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]-1,3,4-oxadiazole is CCS(=O)(=O)N1CCC(c2nnc([C@H]3CCCN3)o2)CC1.
What is the InChIKey of 2-(1-ethylsulfonylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]-1,3,4-oxadiazole?
The InChIKey is MHKICLPXKWVARU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-2-21(18,19)17-8-5-10(6-9-17)12-15-16-13(20-12)11-4-3-7-14-11/h10-11,14H,2-9H2,1H3/t11-/m1/s1.
What are the key properties of 2-(1-ethylsulfonylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]-1,3,4-oxadiazole?
2-(1-ethylsulfonylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]-1,3,4-oxadiazole has a molecular weight of 314.41 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfonylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 124980247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).