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

C11H19N3OS — CID 62691493

IUPAC3-(methylsulfanylmethyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
SMILESCSCc1noc(CCC2CCCNC2)n1
InChIInChI=1S/C11H19N3OS/c1-16-8-10-13-11(15-14-10)5-4-9-3-2-6-12-7-9/h9,12H,2-8H2,1H3
InChIKeyKCXOBPCPTGLVFD-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.86
Rot. Bonds5

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

3-(methylsulfanylmethyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole (PubChem CID 62691493) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
PubChem CID62691493
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3-(methylsulfanylmethyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
SMILESCSCc1noc(CCC2CCCNC2)n1
InChIInChI=1S/C11H19N3OS/c1-16-8-10-13-11(15-14-10)5-4-9-3-2-6-12-7-9/h9,12H,2-8H2,1H3
InChIKeyKCXOBPCPTGLVFD-UHFFFAOYSA-N
XLogP1.86
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazol-3-amine
CID 65419210
5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole
CID 62689973
3-piperidin-1-yl-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
CID 116807301
3-(ethylsulfanylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 65130592
5-(2-piperidin-4-ylethyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 65134669
3-(2-methoxypropyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 113391100
3-(3-methylfuran-2-yl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
CID 104797840
[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 115078486
3-(4-methyl-3-pyridinyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
CID 114876890
3-[(4-fluorophenyl)sulfanylmethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 66071556
2-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336068
3-[2-(2-methoxyethoxy)ethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 102926760

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(methylsulfanylmethyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole (CID 62691493) is 3-(methylsulfanylmethyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(methylsulfanylmethyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(methylsulfanylmethyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole is CSCc1noc(CCC2CCCNC2)n1.
What is the InChIKey of 3-(methylsulfanylmethyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole?
The InChIKey is KCXOBPCPTGLVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-16-8-10-13-11(15-14-10)5-4-9-3-2-6-12-7-9/h9,12H,2-8H2,1H3.
What are the key properties of 3-(methylsulfanylmethyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole?
3-(methylsulfanylmethyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole has a molecular weight of 241.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 62691493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).