2-[(3S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole

C22H25N3O6S — CID 99963762

IUPAC2-[(3S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccccc4OC)o3)C2)c1
InChIInChI=1S/C22H25N3O6S/c1-28-16-10-11-19(30-3)20(13-16)32(26,27)25-12-6-7-15(14-25)21-23-24-22(31-21)17-8-4-5-9-18(17)29-2/h4-5,8-11,13,15H,6-7,12,14H2,1-3H3/t15-/m0/s1
InChIKeyJUUZMGHWWOYOBW-HNNXBMFYSA-N
MW459.52 g/mol
LogP3.33
Rot. Bonds7

About 2-[(3S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole

2-[(3S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 99963762) has the molecular formula C22H25N3O6S and a molecular weight of 459.52 g/mol. Its IUPAC name is 2-[(3S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID99963762
Molecular FormulaC22H25N3O6S
Molecular Weight459.52 g/mol
Exact Mass459.15
IUPAC Name2-[(3S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccccc4OC)o3)C2)c1
InChIInChI=1S/C22H25N3O6S/c1-28-16-10-11-19(30-3)20(13-16)32(26,27)25-12-6-7-15(14-25)21-23-24-22(31-21)17-8-4-5-9-18(17)29-2/h4-5,8-11,13,15H,6-7,12,14H2,1-3H3/t15-/m0/s1
InChIKeyJUUZMGHWWOYOBW-HNNXBMFYSA-N
XLogP3.33
TPSA103.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 132675743
2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 132675744
2-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 132672869
2-[(3S)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 99963554
2-[(3R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 97427041
2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 132675747
1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 121147234
2-[(3S)-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 99963948
2-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 20867361
1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 45178348
1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62534672
1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenoxymethyl)piperidine
CID 110410424

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole (CID 99963762) is 2-[(3S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole is COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccccc4OC)o3)C2)c1.
What is the InChIKey of 2-[(3S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is JUUZMGHWWOYOBW-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25N3O6S/c1-28-16-10-11-19(30-3)20(13-16)32(26,27)25-12-6-7-15(14-25)21-23-24-22(31-21)17-8-4-5-9-18(17)29-2/h4-5,8-11,13,15H,6-7,12,14H2,1-3H3/t15-/m0/s1.
What are the key properties of 2-[(3S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole?
2-[(3S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 459.52 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 99963762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).