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

C9H15N3O3S — CID 95841554

IUPAC2-methyl-5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole
SMILESCc1nnc([C@H]2CCCCN2S(C)(=O)=O)o1
InChIInChI=1S/C9H15N3O3S/c1-7-10-11-9(15-7)8-5-3-4-6-12(8)16(2,13)14/h8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyQNJBLAKSJDJZGQ-MRVPVSSYSA-N
MW245.30 g/mol
LogP0.86
Rot. Bonds2

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

2-methyl-5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole (PubChem CID 95841554) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-methyl-5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole
PubChem CID95841554
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name2-methyl-5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole
SMILESCc1nnc([C@H]2CCCCN2S(C)(=O)=O)o1
InChIInChI=1S/C9H15N3O3S/c1-7-10-11-9(15-7)8-5-3-4-6-12(8)16(2,13)14/h8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyQNJBLAKSJDJZGQ-MRVPVSSYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[(2S)-1-(2-methylphenyl)sulfonylazepan-2-yl]-1,3,4-oxadiazole
CID 164630808
2-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole
CID 125020048
2-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole
CID 73439255
5-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine
CID 97200324
2-cyclobutyl-5-(1-ethylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole
CID 128991904
[4-[5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 95805436
(2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine
CID 95770649
(3S)-4-(azepan-1-ylsulfonyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 129347380
2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-[(2S)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole
CID 124955056
2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-(1-methylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole
CID 110247251
2-(1-cyclopentylsulfonylpiperidin-4-yl)-5-methyl-1,3,4-oxadiazole
CID 110421409
3,5-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)-1,2-oxazole
CID 53009594

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole (CID 95841554) is 2-methyl-5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole is Cc1nnc([C@H]2CCCCN2S(C)(=O)=O)o1.
What is the InChIKey of 2-methyl-5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole?
The InChIKey is QNJBLAKSJDJZGQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-7-10-11-9(15-7)8-5-3-4-6-12(8)16(2,13)14/h8H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of 2-methyl-5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole?
2-methyl-5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole has a molecular weight of 245.30 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 95841554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).