1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride

C10H14FN3O3S — CID 168714674

IUPAC1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCc1nccn1CCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H14FN3O3S/c1-8-12-2-3-13(8)4-5-14-7-9(6-10(14)15)18(11,16)17/h2-3,9H,4-7H2,1H3
InChIKeyHWSYIGKLATZRGC-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.09
Rot. Bonds4

About 1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride

1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714674) has the molecular formula C10H14FN3O3S and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714674
Molecular FormulaC10H14FN3O3S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC Name1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCc1nccn1CCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H14FN3O3S/c1-8-12-2-3-13(8)4-5-14-7-9(6-10(14)15)18(11,16)17/h2-3,9H,4-7H2,1H3
InChIKeyHWSYIGKLATZRGC-UHFFFAOYSA-N
XLogP0.09
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 15065550
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
2-[2-(2-Propylimidazol-1-yl)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 84590517
3-[3-(2,2,2-Trifluoroacetyl)imidazol-1-ium-1-yl]propane-1-sulfonate
CID 146345088
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
2-(8-Oxoimidazo[1,2-a]pyrazin-7-yl)ethanesulfonyl fluoride
CID 145881077
(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-[2-(2-Methylimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676270

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714674) is 1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride is Cc1nccn1CCN1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is HWSYIGKLATZRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3S/c1-8-12-2-3-13(8)4-5-14-7-9(6-10(14)15)18(11,16)17/h2-3,9H,4-7H2,1H3.
What are the key properties of 1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 275.30 g/mol, XLogP of 0.09, 4 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-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).