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

C9H12FN3O3S — CID 168714948

IUPAC1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1CCc1ncc[nH]1
InChIInChI=1S/C9H12FN3O3S/c10-17(15,16)7-5-9(14)13(6-7)4-1-8-11-2-3-12-8/h2-3,7H,1,4-6H2,(H,11,12)
InChIKeyIGLRUWPNNMLZLE-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.15
Rot. Bonds4

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

1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714948) has the molecular formula C9H12FN3O3S and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714948
Molecular FormulaC9H12FN3O3S
Molecular Weight261.28 g/mol
Exact Mass261.06
IUPAC Name1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1CCc1ncc[nH]1
InChIInChI=1S/C9H12FN3O3S/c10-17(15,16)7-5-9(14)13(6-7)4-1-8-11-2-3-12-8/h2-3,7H,1,4-6H2,(H,11,12)
InChIKeyIGLRUWPNNMLZLE-UHFFFAOYSA-N
XLogP-0.15
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-imidazol-2-yl)-N-(2-sulfanylethyl)propanamide
CID 177680520
4-[3-(1H-imidazol-2-yl)-1-piperidinyl]-4-oxo-1-butanesulfonamide
CID 70770198
[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-(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
[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
1-[2-(2-Methylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714674
1-[(1-Methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714698
1-(1-Methylimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714700
1-(3-Imidazol-1-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714832

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714948) is 1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1CCc1ncc[nH]1.
What is the InChIKey of 1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is IGLRUWPNNMLZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O3S/c10-17(15,16)7-5-9(14)13(6-7)4-1-8-11-2-3-12-8/h2-3,7H,1,4-6H2,(H,11,12).
What are the key properties of 1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 261.28 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).