5-(1-benzylsulfonylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole

C18H19N3O3S2 — CID 653662

IUPAC5-(1-benzylsulfonylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1ccccc1)N1CCC(c2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C18H19N3O3S2/c22-26(23,13-14-5-2-1-3-6-14)21-10-8-15(9-11-21)18-19-17(20-24-18)16-7-4-12-25-16/h1-7,12,15H,8-11,13H2
InChIKeyCACGICJDAQUQPD-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.51
Rot. Bonds5

About 5-(1-benzylsulfonylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole

5-(1-benzylsulfonylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 653662) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-(1-benzylsulfonylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-benzylsulfonylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID653662
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC Name5-(1-benzylsulfonylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1ccccc1)N1CCC(c2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C18H19N3O3S2/c22-26(23,13-14-5-2-1-3-6-14)21-10-8-15(9-11-21)18-19-17(20-24-18)16-7-4-12-25-16/h1-7,12,15H,8-11,13H2
InChIKeyCACGICJDAQUQPD-UHFFFAOYSA-N
XLogP3.51
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(Thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine
CID 1453694
4-Methyl-1-[4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-one
CID 24804103
2-Phenyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone
CID 1453697
Bdm-31343
CID 24804431
4,4,4-Trifluoro-1-(4-(3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)butan-1-one
CID 24804428
2-Cyclopropyl-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-ethanone
CID 52952509
2-Cyclopentyl-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-ethanone
CID 52952510
2-Cyclohexyl-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-ethanone
CID 52952612
(5S)-5-[3-chloro-5-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 73602806
2-Methyl-1-(4-{3-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,2,4]oxadiazol-5-yl}-piperidin-1-yl)-propan-1-one
CID 1453639
Cyclopropyl-(4-{3-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,2,4]oxadiazol-5-yl}-piperidin-1-yl)-methanone
CID 1453643
N-(4-ethylbenzyl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propionamide
CID 9550880

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylsulfonylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-benzylsulfonylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole (CID 653662) is 5-(1-benzylsulfonylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-benzylsulfonylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-benzylsulfonylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole is O=S(=O)(Cc1ccccc1)N1CCC(c2nc(-c3cccs3)no2)CC1.
What is the InChIKey of 5-(1-benzylsulfonylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is CACGICJDAQUQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c22-26(23,13-14-5-2-1-3-6-14)21-10-8-15(9-11-21)18-19-17(20-24-18)16-7-4-12-25-16/h1-7,12,15H,8-11,13H2.
What are the key properties of 5-(1-benzylsulfonylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
5-(1-benzylsulfonylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 389.50 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylsulfonylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 653662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).