2-methylsulfanyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole

C9H15N3OS — CID 84679848

IUPAC2-methylsulfanyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole
SMILESCSc1nnc(CC2CCNCC2)o1
InChIInChI=1S/C9H15N3OS/c1-14-9-12-11-8(13-9)6-7-2-4-10-5-3-7/h7,10H,2-6H2,1H3
InChIKeyDSUJABFVWHQCSG-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.33
Rot. Bonds3

About 2-methylsulfanyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole

2-methylsulfanyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole (PubChem CID 84679848) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-methylsulfanyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methylsulfanyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole
PubChem CID84679848
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-methylsulfanyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole
SMILESCSc1nnc(CC2CCNCC2)o1
InChIInChI=1S/C9H15N3OS/c1-14-9-12-11-8(13-9)6-7-2-4-10-5-3-7/h7,10H,2-6H2,1H3
InChIKeyDSUJABFVWHQCSG-UHFFFAOYSA-N
XLogP1.33
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-methylsulfanyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole (CID 84679848) is 2-methylsulfanyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-methylsulfanyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-methylsulfanyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole is CSc1nnc(CC2CCNCC2)o1.
What is the InChIKey of 2-methylsulfanyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is DSUJABFVWHQCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-14-9-12-11-8(13-9)6-7-2-4-10-5-3-7/h7,10H,2-6H2,1H3.
What are the key properties of 2-methylsulfanyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole?
2-methylsulfanyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 213.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 84679848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).