[1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C11H16FN3O3S — CID 168676429

IUPAC[1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CCCn1ccnc1
InChIInChI=1S/C11H16FN3O3S/c12-19(17,18)8-10-6-11(16)15(7-10)4-1-3-14-5-2-13-9-14/h2,5,9-10H,1,3-4,6-8H2
InChIKeyZQVBTFUHDSFHOL-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.42
Rot. Bonds6

About [1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676429) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is [1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676429
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name[1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CCCn1ccnc1
InChIInChI=1S/C11H16FN3O3S/c12-19(17,18)8-10-6-11(16)15(7-10)4-1-3-14-5-2-13-9-14/h2,5,9-10H,1,3-4,6-8H2
InChIKeyZQVBTFUHDSFHOL-UHFFFAOYSA-N
XLogP0.42
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.42
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
(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
[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-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676545
[1-(2-Imidazol-1-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676553
[1-(1H-imidazol-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676702
(5-Oxo-1-pyrazin-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168677886
1-[Cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713282

Frequently Asked Questions

What is the IUPAC name of [1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676429) is [1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1CCCn1ccnc1.
What is the InChIKey of [1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is ZQVBTFUHDSFHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c12-19(17,18)8-10-6-11(16)15(7-10)4-1-3-14-5-2-13-9-14/h2,5,9-10H,1,3-4,6-8H2.
What are the key properties of [1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 289.33 g/mol, XLogP of 0.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).