5-ethyl-3-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole

C15H21N3O3S2 — CID 53041556

IUPAC5-ethyl-3-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole
SMILESCCc1nc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)s2)no1
InChIInChI=1S/C15H21N3O3S2/c1-4-14-16-15(17-21-14)12-9-13(11(3)22-12)23(19,20)18-7-5-10(2)6-8-18/h9-10H,4-8H2,1-3H3
InChIKeyALPBVVXWXDVDPO-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.09
Rot. Bonds4

About 5-ethyl-3-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole

5-ethyl-3-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole (PubChem CID 53041556) has the molecular formula C15H21N3O3S2 and a molecular weight of 355.49 g/mol. Its IUPAC name is 5-ethyl-3-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole
PubChem CID53041556
Molecular FormulaC15H21N3O3S2
Molecular Weight355.49 g/mol
Exact Mass355.10
IUPAC Name5-ethyl-3-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole
SMILESCCc1nc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)s2)no1
InChIInChI=1S/C15H21N3O3S2/c1-4-14-16-15(17-21-14)12-9-13(11(3)22-12)23(19,20)18-7-5-10(2)6-8-18/h9-10H,4-8H2,1-3H3
InChIKeyALPBVVXWXDVDPO-UHFFFAOYSA-N
XLogP3.09
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxylate
CID 53041550
[1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 53007015
5-ethyl-3-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole
CID 53041558
(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxylic acid
CID 92863922
1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 53042063
N-(4-acetylphenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53078594
N-(2,3-dimethylphenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042052
N-(3-chloro-4-methylphenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042118
N-(2,4-dimethylphenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042061
[(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 93058356
[1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 53028649
N-cyclopropyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53007063

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole (CID 53041556) is 5-ethyl-3-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole is CCc1nc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)s2)no1.
What is the InChIKey of 5-ethyl-3-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole?
The InChIKey is ALPBVVXWXDVDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S2/c1-4-14-16-15(17-21-14)12-9-13(11(3)22-12)23(19,20)18-7-5-10(2)6-8-18/h9-10H,4-8H2,1-3H3.
What are the key properties of 5-ethyl-3-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole?
5-ethyl-3-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole has a molecular weight of 355.49 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 53041556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).