5-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-3-methyl-1,2,4-oxadiazole

C15H18ClN3O3S — CID 51966188

IUPAC5-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3C)C2)n1
InChIInChI=1S/C15H18ClN3O3S/c1-10-13(16)6-3-7-14(10)23(20,21)19-8-4-5-12(9-19)15-17-11(2)18-22-15/h3,6-7,12H,4-5,8-9H2,1-2H3/t12-/m1/s1
InChIKeyHWZDLVTZMXXBHQ-GFCCVEGCSA-N
MW355.85 g/mol
LogP2.91
Rot. Bonds3

About 5-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-3-methyl-1,2,4-oxadiazole

5-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 51966188) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is 5-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID51966188
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC Name5-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3C)C2)n1
InChIInChI=1S/C15H18ClN3O3S/c1-10-13(16)6-3-7-14(10)23(20,21)19-8-4-5-12(9-19)15-17-11(2)18-22-15/h3,6-7,12H,4-5,8-9H2,1-2H3/t12-/m1/s1
InChIKeyHWZDLVTZMXXBHQ-GFCCVEGCSA-N
XLogP2.91
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole
CID 3226288
5-[(3R)-1-(3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129491455
5-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 3226125
5-[(3S)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129346859
N,N-diethyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 168832166
3-(4-chlorophenyl)-5-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole
CID 42761070
(1S)-1-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124678233
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]piperidine-3-carboxamide
CID 58656350
5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 60565067
5-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 90642090
1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602172
5-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 47092466

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-3-methyl-1,2,4-oxadiazole (CID 51966188) is 5-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc([C@@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3C)C2)n1.
What is the InChIKey of 5-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is HWZDLVTZMXXBHQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18ClN3O3S/c1-10-13(16)6-3-7-14(10)23(20,21)19-8-4-5-12(9-19)15-17-11(2)18-22-15/h3,6-7,12H,4-5,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of 5-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
5-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 355.85 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 51966188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).