5-[(3S)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole

C14H17N3O4S — CID 129346859

IUPAC5-[(3S)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccccc1S(=O)(=O)N1CC[C@H](c2nc(C)no2)C1
InChIInChI=1S/C14H17N3O4S/c1-10-15-14(21-16-10)11-7-8-17(9-11)22(18,19)13-6-4-3-5-12(13)20-2/h3-6,11H,7-9H2,1-2H3/t11-/m0/s1
InChIKeyOLCZQEPCHPHNBM-NSHDSACASA-N
MW323.37 g/mol
LogP1.56
Rot. Bonds4

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

5-[(3S)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 129346859) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 5-[(3S)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3S)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID129346859
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name5-[(3S)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccccc1S(=O)(=O)N1CC[C@H](c2nc(C)no2)C1
InChIInChI=1S/C14H17N3O4S/c1-10-15-14(21-16-10)11-7-8-17(9-11)22(18,19)13-6-4-3-5-12(13)20-2/h3-6,11H,7-9H2,1-2H3/t11-/m0/s1
InChIKeyOLCZQEPCHPHNBM-NSHDSACASA-N
XLogP1.56
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3R)-1-(3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129491455
5-[(3R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129346768
5-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 51966188
2-[(3R)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]benzoic acid
CID 95715201
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 2986760
5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 167968274
3-ethyl-1-(2-methoxyphenyl)sulfonylpiperidin-4-amine
CID 81458430
[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972182
5-[1-(2-methoxy-5-methylphenyl)sulfonylazetidin-3-yl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 121097837
4-(2-methoxyphenyl)sulfonyl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 75474711
[1-(2-methoxyphenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960870
5-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 46300189

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3S)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole (CID 129346859) is 5-[(3S)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3S)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3S)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole is COc1ccccc1S(=O)(=O)N1CC[C@H](c2nc(C)no2)C1.
What is the InChIKey of 5-[(3S)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is OLCZQEPCHPHNBM-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-10-15-14(21-16-10)11-7-8-17(9-11)22(18,19)13-6-4-3-5-12(13)20-2/h3-6,11H,7-9H2,1-2H3/t11-/m0/s1.
What are the key properties of 5-[(3S)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
5-[(3S)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 323.37 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 129346859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).