2-methyl-1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one

C11H17N3O4S — CID 11937581

IUPAC2-methyl-1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC[C@H]1c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C11H17N3O4S/c1-7(2)10(15)14-6-4-5-8(14)9-12-13-11(18-9)19(3,16)17/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyFMSDPKRWSCRJTQ-QMMMGPOBSA-N
MW287.34 g/mol
LogP0.79
Rot. Bonds3

About 2-methyl-1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one

2-methyl-1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 11937581) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-methyl-1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID11937581
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name2-methyl-1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC[C@H]1c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C11H17N3O4S/c1-7(2)10(15)14-6-4-5-8(14)9-12-13-11(18-9)19(3,16)17/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyFMSDPKRWSCRJTQ-QMMMGPOBSA-N
XLogP0.79
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopropyl-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 9188056
1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 9188175
2-(4-methoxyphenyl)-1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 11937595
2-(4-ethoxyphenyl)-1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 11937596
(2S)-N-(3,4-dichlorophenyl)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxamide
CID 9188252
2-methylsulfonyl-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole
CID 11937565
2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole
CID 11937567
(E)-1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-3-(4-propoxyphenyl)prop-2-en-1-one
CID 11937601
1-[(2S)-2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 11937630
2-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole
CID 9187917
1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747298
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747022

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one (CID 11937581) is 2-methyl-1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC[C@H]1c1nnc(S(C)(=O)=O)o1.
What is the InChIKey of 2-methyl-1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is FMSDPKRWSCRJTQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-7(2)10(15)14-6-4-5-8(14)9-12-13-11(18-9)19(3,16)17/h7-8H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of 2-methyl-1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one?
2-methyl-1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 287.34 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 11937581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).