2-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole

C17H16ClN3O3S2 — CID 92568392

IUPAC2-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1
InChIInChI=1S/C17H16ClN3O3S2/c18-13-5-1-6-14(10-13)26(22,23)21-8-2-4-12(11-21)16-19-20-17(24-16)15-7-3-9-25-15/h1,3,5-7,9-10,12H,2,4,8,11H2/t12-/m1/s1
InChIKeyMVDOXRGDHSIYAK-GFCCVEGCSA-N
MW409.92 g/mol
LogP4.02
Rot. Bonds4

About 2-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole

2-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 92568392) has the molecular formula C17H16ClN3O3S2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 2-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID92568392
Molecular FormulaC17H16ClN3O3S2
Molecular Weight409.92 g/mol
Exact Mass409.03
IUPAC Name2-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1
InChIInChI=1S/C17H16ClN3O3S2/c18-13-5-1-6-14(10-13)26(22,23)21-8-2-4-12(11-21)16-19-20-17(24-16)15-7-3-9-25-15/h1,3,5-7,9-10,12H,2,4,8,11H2/t12-/m1/s1
InChIKeyMVDOXRGDHSIYAK-GFCCVEGCSA-N
XLogP4.02
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 121069531
5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 3226245
2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 92559523
2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92569582
2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92568358
2-thiophen-2-yl-5-[(2R)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole
CID 92569579
2-[(2S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92571600
2-[(2R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92571599
(3,4-difluorophenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 30863585
(3-fluorophenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 110243077
2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 110235511
2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 110235508

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 92568392) is 2-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole is O=S(=O)(c1cccc(Cl)c1)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1.
What is the InChIKey of 2-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is MVDOXRGDHSIYAK-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16ClN3O3S2/c18-13-5-1-6-14(10-13)26(22,23)21-8-2-4-12(11-21)16-19-20-17(24-16)15-7-3-9-25-15/h1,3,5-7,9-10,12H,2,4,8,11H2/t12-/m1/s1.
What are the key properties of 2-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 409.92 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 92568392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).