2-(1-ethylsulfonylpiperidin-2-yl)-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole

C19H28N4O3S2 — CID 110247239

IUPAC2-(1-ethylsulfonylpiperidin-2-yl)-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole
SMILESCCS(=O)(=O)N1CCCCC1c1nnc(C2CCN(Cc3cccs3)CC2)o1
InChIInChI=1S/C19H28N4O3S2/c1-2-28(24,25)23-10-4-3-7-17(23)19-21-20-18(26-19)15-8-11-22(12-9-15)14-16-6-5-13-27-16/h5-6,13,15,17H,2-4,7-12,14H2,1H3
InChIKeyBHCQGSOXEBPDOD-UHFFFAOYSA-N
MW424.59 g/mol
LogP3.39
Rot. Bonds6

About 2-(1-ethylsulfonylpiperidin-2-yl)-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole

2-(1-ethylsulfonylpiperidin-2-yl)-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole (PubChem CID 110247239) has the molecular formula C19H28N4O3S2 and a molecular weight of 424.59 g/mol. Its IUPAC name is 2-(1-ethylsulfonylpiperidin-2-yl)-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-ethylsulfonylpiperidin-2-yl)-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole
PubChem CID110247239
Molecular FormulaC19H28N4O3S2
Molecular Weight424.59 g/mol
Exact Mass424.16
IUPAC Name2-(1-ethylsulfonylpiperidin-2-yl)-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole
SMILESCCS(=O)(=O)N1CCCCC1c1nnc(C2CCN(Cc3cccs3)CC2)o1
InChIInChI=1S/C19H28N4O3S2/c1-2-28(24,25)23-10-4-3-7-17(23)19-21-20-18(26-19)15-8-11-22(12-9-15)14-16-6-5-13-27-16/h5-6,13,15,17H,2-4,7-12,14H2,1H3
InChIKeyBHCQGSOXEBPDOD-UHFFFAOYSA-N
XLogP3.39
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(1-ethylsulfonylpiperidin-2-yl)-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(2R)-1-ethylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole
CID 95805427
2-cyclobutyl-5-(1-ethylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole
CID 128991904
2-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole
CID 125020048
2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-(1-methylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole
CID 110247251
2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-[(2S)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole
CID 124955056
2-benzyl-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137403
2-cyclobutyl-5-[1-(3-methylphenyl)sulfonylpiperidin-2-yl]-1,3,4-oxadiazole
CID 136542510
2-(2-fluorophenyl)-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137666
2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92558047
1-propylsulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 61383814
1-ethylsulfonyl-2-(3-methylthiophen-2-yl)azepane
CID 53013040
2-[1-ethylsulfonyl-4-(thiophen-2-ylmethyl)piperazin-2-yl]-1H-benzimidazole
CID 44783569

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylsulfonylpiperidin-2-yl)-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(1-ethylsulfonylpiperidin-2-yl)-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole (CID 110247239) is 2-(1-ethylsulfonylpiperidin-2-yl)-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-ethylsulfonylpiperidin-2-yl)-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-ethylsulfonylpiperidin-2-yl)-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole is CCS(=O)(=O)N1CCCCC1c1nnc(C2CCN(Cc3cccs3)CC2)o1.
What is the InChIKey of 2-(1-ethylsulfonylpiperidin-2-yl)-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole?
The InChIKey is BHCQGSOXEBPDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S2/c1-2-28(24,25)23-10-4-3-7-17(23)19-21-20-18(26-19)15-8-11-22(12-9-15)14-16-6-5-13-27-16/h5-6,13,15,17H,2-4,7-12,14H2,1H3.
What are the key properties of 2-(1-ethylsulfonylpiperidin-2-yl)-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole?
2-(1-ethylsulfonylpiperidin-2-yl)-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole has a molecular weight of 424.59 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfonylpiperidin-2-yl)-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 110247239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).