[1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C11H16FN3O3S — CID 168676270

IUPAC[1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCc1nccn1CCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H16FN3O3S/c1-9-13-2-3-14(9)4-5-15-7-10(6-11(15)16)8-19(12,17)18/h2-3,10H,4-8H2,1H3
InChIKeyBHQYXNFNBHCZKT-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.34
Rot. Bonds5

About [1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676270) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is [1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676270
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name[1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCc1nccn1CCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H16FN3O3S/c1-9-13-2-3-14(9)4-5-15-7-10(6-11(15)16)8-19(12,17)18/h2-3,10H,4-8H2,1H3
InChIKeyBHQYXNFNBHCZKT-UHFFFAOYSA-N
XLogP0.34
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(8-Methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]pyrrolidin-2-one
CID 118739605
1-Ethenyl-3-methylimidazol-3-ium;1-ethenylpyrrolidin-2-one;methyl sulfate
CID 44151494
1-butylsulfonyl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-4-carboxamide
CID 56451277
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide
CID 78898575
N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-methylsulfonylacetamide
CID 132345905
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
CID 133911160
(3R,4R)-1-(1-ethylimidazole-2-carbonyl)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide
CID 166263491
[1-[Cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674878
[1-[(1-Methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676294
[1-(1-Methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676296
[1-(3-Imidazol-1-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676429
[1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676545

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676270) is [1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is Cc1nccn1CCN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is BHQYXNFNBHCZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-9-13-2-3-14(9)4-5-15-7-10(6-11(15)16)8-19(12,17)18/h2-3,10H,4-8H2,1H3.
What are the key properties of [1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 289.33 g/mol, XLogP of 0.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).