3-(ethylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole

C11H19N3OS — CID 65130645

IUPAC3-(ethylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCCSCc1noc(C2(C)CCNCC2)n1
InChIInChI=1S/C11H19N3OS/c1-3-16-8-9-13-10(15-14-9)11(2)4-6-12-7-5-11/h12H,3-8H2,1-2H3
InChIKeyALNVYMWOUHCGIX-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.96
Rot. Bonds4

About 3-(ethylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole

3-(ethylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 65130645) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-(ethylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(ethylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID65130645
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3-(ethylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCCSCc1noc(C2(C)CCNCC2)n1
InChIInChI=1S/C11H19N3OS/c1-3-16-8-9-13-10(15-14-9)11(2)4-6-12-7-5-11/h12H,3-8H2,1-2H3
InChIKeyALNVYMWOUHCGIX-UHFFFAOYSA-N
XLogP1.96
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(ethylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole (CID 65130645) is 3-(ethylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(ethylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(ethylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole is CCSCc1noc(C2(C)CCNCC2)n1.
What is the InChIKey of 3-(ethylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is ALNVYMWOUHCGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-16-8-9-13-10(15-14-9)11(2)4-6-12-7-5-11/h12H,3-8H2,1-2H3.
What are the key properties of 3-(ethylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
3-(ethylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 241.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 65130645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).