1-[1-(2-methylsulfonylimidazol-1-yl)butan-2-yl]pyrrolidin-2-one

C12H19N3O3S — CID 66761493

IUPAC1-[1-(2-methylsulfonylimidazol-1-yl)butan-2-yl]pyrrolidin-2-one
SMILESCCC(Cn1ccnc1S(C)(=O)=O)N1CCCC1=O
InChIInChI=1S/C12H19N3O3S/c1-3-10(15-7-4-5-11(15)16)9-14-8-6-13-12(14)19(2,17)18/h6,8,10H,3-5,7,9H2,1-2H3
InChIKeyBWUYHRBEWKNROO-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.69
Rot. Bonds5

About 1-[1-(2-methylsulfonylimidazol-1-yl)butan-2-yl]pyrrolidin-2-one

1-[1-(2-methylsulfonylimidazol-1-yl)butan-2-yl]pyrrolidin-2-one (PubChem CID 66761493) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-[1-(2-methylsulfonylimidazol-1-yl)butan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-methylsulfonylimidazol-1-yl)butan-2-yl]pyrrolidin-2-one
PubChem CID66761493
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name1-[1-(2-methylsulfonylimidazol-1-yl)butan-2-yl]pyrrolidin-2-one
SMILESCCC(Cn1ccnc1S(C)(=O)=O)N1CCCC1=O
InChIInChI=1S/C12H19N3O3S/c1-3-10(15-7-4-5-11(15)16)9-14-8-6-13-12(14)19(2,17)18/h6,8,10H,3-5,7,9H2,1-2H3
InChIKeyBWUYHRBEWKNROO-UHFFFAOYSA-N
XLogP0.69
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylsulfonylimidazol-1-yl)butan-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(2-methylsulfonylimidazol-1-yl)butan-2-yl]pyrrolidin-2-one (CID 66761493) is 1-[1-(2-methylsulfonylimidazol-1-yl)butan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(2-methylsulfonylimidazol-1-yl)butan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(2-methylsulfonylimidazol-1-yl)butan-2-yl]pyrrolidin-2-one is CCC(Cn1ccnc1S(C)(=O)=O)N1CCCC1=O.
What is the InChIKey of 1-[1-(2-methylsulfonylimidazol-1-yl)butan-2-yl]pyrrolidin-2-one?
The InChIKey is BWUYHRBEWKNROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-3-10(15-7-4-5-11(15)16)9-14-8-6-13-12(14)19(2,17)18/h6,8,10H,3-5,7,9H2,1-2H3.
What are the key properties of 1-[1-(2-methylsulfonylimidazol-1-yl)butan-2-yl]pyrrolidin-2-one?
1-[1-(2-methylsulfonylimidazol-1-yl)butan-2-yl]pyrrolidin-2-one has a molecular weight of 285.37 g/mol, XLogP of 0.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylsulfonylimidazol-1-yl)butan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 66761493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).