5-[1-(benzenesulfonyl)piperidin-2-yl]-3-ethyl-1,2,4-oxadiazole

C15H19N3O3S — CID 56728144

IUPAC5-[1-(benzenesulfonyl)piperidin-2-yl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(C2CCCCN2S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C15H19N3O3S/c1-2-14-16-15(21-17-14)13-10-6-7-11-18(13)22(19,20)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3
InChIKeyREIQKGJKCRKGKK-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.55
Rot. Bonds4

About 5-[1-(benzenesulfonyl)piperidin-2-yl]-3-ethyl-1,2,4-oxadiazole

5-[1-(benzenesulfonyl)piperidin-2-yl]-3-ethyl-1,2,4-oxadiazole (PubChem CID 56728144) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 5-[1-(benzenesulfonyl)piperidin-2-yl]-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(benzenesulfonyl)piperidin-2-yl]-3-ethyl-1,2,4-oxadiazole
PubChem CID56728144
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name5-[1-(benzenesulfonyl)piperidin-2-yl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(C2CCCCN2S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C15H19N3O3S/c1-2-14-16-15(21-17-14)13-10-6-7-11-18(13)22(19,20)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3
InChIKeyREIQKGJKCRKGKK-UHFFFAOYSA-N
XLogP2.55
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2S)-1-(4-ethoxyphenyl)sulfonylpiperidin-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 52515333
5-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 92894119
3-methyl-5-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95824618
3-[(2S)-1-(benzenesulfonyl)azepan-2-yl]-5-(methoxymethyl)-1,2,4-oxadiazole
CID 97344881
5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 3930433
3-phenyl-5-[(2S)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93071699
(E)-1-[(2R)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 51984750
3-[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92893944
3-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92893943
(2R)-N-benzyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide
CID 95729521
1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-4-phenylbutan-1-one
CID 56728305
5-[(2S)-1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 95116778

Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzenesulfonyl)piperidin-2-yl]-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(benzenesulfonyl)piperidin-2-yl]-3-ethyl-1,2,4-oxadiazole (CID 56728144) is 5-[1-(benzenesulfonyl)piperidin-2-yl]-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(benzenesulfonyl)piperidin-2-yl]-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(benzenesulfonyl)piperidin-2-yl]-3-ethyl-1,2,4-oxadiazole is CCc1noc(C2CCCCN2S(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 5-[1-(benzenesulfonyl)piperidin-2-yl]-3-ethyl-1,2,4-oxadiazole?
The InChIKey is REIQKGJKCRKGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-2-14-16-15(21-17-14)13-10-6-7-11-18(13)22(19,20)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3.
What are the key properties of 5-[1-(benzenesulfonyl)piperidin-2-yl]-3-ethyl-1,2,4-oxadiazole?
5-[1-(benzenesulfonyl)piperidin-2-yl]-3-ethyl-1,2,4-oxadiazole has a molecular weight of 321.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(benzenesulfonyl)piperidin-2-yl]-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 56728144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).