2-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole

C9H15N3O3S — CID 73439255

IUPAC2-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole
SMILESCc1nnc(C2CCN(S(C)(=O)=O)CC2)o1
InChIInChI=1S/C9H15N3O3S/c1-7-10-11-9(15-7)8-3-5-12(6-4-8)16(2,13)14/h8H,3-6H2,1-2H3
InChIKeyOJISARRFMBKZQL-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.52
Rot. Bonds2

About 2-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole

2-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole (PubChem CID 73439255) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole
PubChem CID73439255
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name2-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole
SMILESCc1nnc(C2CCN(S(C)(=O)=O)CC2)o1
InChIInChI=1S/C9H15N3O3S/c1-7-10-11-9(15-7)8-3-5-12(6-4-8)16(2,13)14/h8H,3-6H2,1-2H3
InChIKeyOJISARRFMBKZQL-UHFFFAOYSA-N
XLogP0.52
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole (CID 73439255) is 2-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole is Cc1nnc(C2CCN(S(C)(=O)=O)CC2)o1.
What is the InChIKey of 2-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole?
The InChIKey is OJISARRFMBKZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-7-10-11-9(15-7)8-3-5-12(6-4-8)16(2,13)14/h8H,3-6H2,1-2H3.
What are the key properties of 2-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole?
2-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole has a molecular weight of 245.30 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 73439255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).