3-phenyl-5-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole

C17H17N3O3S2 — CID 92875105

IUPAC3-phenyl-5-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole
SMILESO=S(=O)(c1cccs1)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C17H17N3O3S2/c21-25(22,15-9-5-11-24-15)20-10-4-8-14(12-20)17-18-16(19-23-17)13-6-2-1-3-7-13/h1-3,5-7,9,11,14H,4,8,10,12H2/t14-/m0/s1
InChIKeyNXCUMYJVPUYFHK-AWEZNQCLSA-N
MW375.48 g/mol
LogP3.37
Rot. Bonds4

About 3-phenyl-5-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole

3-phenyl-5-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 92875105) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 3-phenyl-5-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole
PubChem CID92875105
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC Name3-phenyl-5-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole
SMILESO=S(=O)(c1cccs1)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C17H17N3O3S2/c21-25(22,15-9-5-11-24-15)20-10-4-8-14(12-20)17-18-16(19-23-17)13-6-2-1-3-7-13/h1-3,5-7,9,11,14H,4,8,10,12H2/t14-/m0/s1
InChIKeyNXCUMYJVPUYFHK-AWEZNQCLSA-N
XLogP3.37
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxyphenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole
CID 45498956
3-(3,4-dimethoxyphenyl)-5-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 30848894
3-(1,3-benzodioxol-5-yl)-5-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 92875106
5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 46350393
5-[1-(benzenesulfonyl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 3225890
5-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 1456856
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 132669499
3-(3-methylphenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
CID 42585272
3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 22424714
3-pyridin-4-yl-5-(8-thiophen-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazole
CID 171148653
5-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 3226125
5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 3226245

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole (CID 92875105) is 3-phenyl-5-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole is O=S(=O)(c1cccs1)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1.
What is the InChIKey of 3-phenyl-5-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is NXCUMYJVPUYFHK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c21-25(22,15-9-5-11-24-15)20-10-4-8-14(12-20)17-18-16(19-23-17)13-6-2-1-3-7-13/h1-3,5-7,9,11,14H,4,8,10,12H2/t14-/m0/s1.
What are the key properties of 3-phenyl-5-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole?
3-phenyl-5-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 375.48 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 92875105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).