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

C14H19N3O3S2 — CID 53127217

IUPAC2-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-3-yl]-5-methyl-1,3,4-oxadiazole
SMILESCCC1CCCCN1S(=O)(=O)c1cc(-c2nnc(C)o2)cs1
InChIInChI=1S/C14H19N3O3S2/c1-3-12-6-4-5-7-17(12)22(18,19)13-8-11(9-21-13)14-16-15-10(2)20-14/h8-9,12H,3-7H2,1-2H3
InChIKeyHZJFUZGPIPMAJW-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.06
Rot. Bonds4

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

2-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-3-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 53127217) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-3-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-3-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID53127217
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC Name2-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-3-yl]-5-methyl-1,3,4-oxadiazole
SMILESCCC1CCCCN1S(=O)(=O)c1cc(-c2nnc(C)o2)cs1
InChIInChI=1S/C14H19N3O3S2/c1-3-12-6-4-5-7-17(12)22(18,19)13-8-11(9-21-13)14-16-15-10(2)20-14/h8-9,12H,3-7H2,1-2H3
InChIKeyHZJFUZGPIPMAJW-UHFFFAOYSA-N
XLogP3.06
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53127206
5-[5-[2-(3-methoxypropyl)piperidin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole
CID 70729430
2-chloro-5-(2-ethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
CID 43456226
1-[5-(chloromethyl)-4-methylthiophen-2-yl]sulfonyl-2-ethylazepane
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5-(2-ethylazepan-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid
CID 104689156
1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine
CID 19682804
2-ethyl-6-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]pyridazin-3-one
CID 95092794
N-[[5-(2-propylpiperidin-1-yl)sulfonylthiophen-3-yl]methyl]ethanamine
CID 83046357
4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethylaniline
CID 79588507
2-ethyl-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 110429024
4-(2-ethylpiperidin-1-yl)sulfonyl-5-methyl-1,2-oxazol-3-amine
CID 56923137
[5-bromo-4-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methanol
CID 104692787

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-3-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-3-yl]-5-methyl-1,3,4-oxadiazole (CID 53127217) is 2-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-3-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-3-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-3-yl]-5-methyl-1,3,4-oxadiazole is CCC1CCCCN1S(=O)(=O)c1cc(-c2nnc(C)o2)cs1.
What is the InChIKey of 2-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-3-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is HZJFUZGPIPMAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-3-12-6-4-5-7-17(12)22(18,19)13-8-11(9-21-13)14-16-15-10(2)20-14/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 2-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-3-yl]-5-methyl-1,3,4-oxadiazole?
2-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-3-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 341.46 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-3-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 53127217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).