3-(ethylsulfanylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole

C12H21N3OS — CID 65130592

IUPAC3-(ethylsulfanylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
SMILESCCSCc1noc(CCC2CCNCC2)n1
InChIInChI=1S/C12H21N3OS/c1-2-17-9-11-14-12(16-15-11)4-3-10-5-7-13-8-6-10/h10,13H,2-9H2,1H3
InChIKeyOLYFLEGNLVABGU-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.25
Rot. Bonds6

About 3-(ethylsulfanylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole

3-(ethylsulfanylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole (PubChem CID 65130592) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-(ethylsulfanylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(ethylsulfanylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
PubChem CID65130592
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name3-(ethylsulfanylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
SMILESCCSCc1noc(CCC2CCNCC2)n1
InChIInChI=1S/C12H21N3OS/c1-2-17-9-11-14-12(16-15-11)4-3-10-5-7-13-8-6-10/h10,13H,2-9H2,1H3
InChIKeyOLYFLEGNLVABGU-UHFFFAOYSA-N
XLogP2.25
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-piperidin-4-ylethyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 65134669
3-(methylsulfonylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62475251
N,N-diethyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62216530
3-(ethylsulfanylmethyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
CID 65131187
3-(ethylsulfanylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 65131299
N-methyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]acetamide;hydrochloride
CID 120841860
3-(oxolan-3-ylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 103985671
5-(2-piperidin-4-ylethyl)-3-propan-2-yl-1,2,4-oxadiazole
CID 62216698
3-[(4-fluorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62216870
3-(methylsulfanylmethyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
CID 62691493
3-(ethylsulfanylmethyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 65130998
3-[(3-chlorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62216700

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfanylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(ethylsulfanylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole (CID 65130592) is 3-(ethylsulfanylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(ethylsulfanylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(ethylsulfanylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole is CCSCc1noc(CCC2CCNCC2)n1.
What is the InChIKey of 3-(ethylsulfanylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
The InChIKey is OLYFLEGNLVABGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-2-17-9-11-14-12(16-15-11)4-3-10-5-7-13-8-6-10/h10,13H,2-9H2,1H3.
What are the key properties of 3-(ethylsulfanylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
3-(ethylsulfanylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole has a molecular weight of 255.39 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfanylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 65130592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).