5-oxo-1-(2-pyridin-3-ylethyl)pyrrolidine-3-sulfonyl fluoride

C11H13FN2O3S — CID 168714925

IUPAC5-oxo-1-(2-pyridin-3-ylethyl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1CCc1cccnc1
InChIInChI=1S/C11H13FN2O3S/c12-18(16,17)10-6-11(15)14(8-10)5-3-9-2-1-4-13-7-9/h1-2,4,7,10H,3,5-6,8H2
InChIKeyFELGMYKPHACAQU-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.52
Rot. Bonds4

About 5-oxo-1-(2-pyridin-3-ylethyl)pyrrolidine-3-sulfonyl fluoride

5-oxo-1-(2-pyridin-3-ylethyl)pyrrolidine-3-sulfonyl fluoride (PubChem CID 168714925) has the molecular formula C11H13FN2O3S and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-oxo-1-(2-pyridin-3-ylethyl)pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-(2-pyridin-3-ylethyl)pyrrolidine-3-sulfonyl fluoride
PubChem CID168714925
Molecular FormulaC11H13FN2O3S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name5-oxo-1-(2-pyridin-3-ylethyl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1CCc1cccnc1
InChIInChI=1S/C11H13FN2O3S/c12-18(16,17)10-6-11(15)14(8-10)5-3-9-2-1-4-13-7-9/h1-2,4,7,10H,3,5-6,8H2
InChIKeyFELGMYKPHACAQU-UHFFFAOYSA-N
XLogP0.52
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168714934
1-[2-(3,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714868
5-oxo-1-(2-quinoxalin-6-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168714914
5-oxo-1-[2-(1H-pyrrol-3-yl)ethyl]pyrrolidine-3-sulfonyl fluoride
CID 168714899
1-(2-isoquinolin-3-ylethyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714909
5-oxo-1-(2-quinoxalin-2-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168714947
1-[2-(2-bromophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714885
5-oxo-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidine-3-sulfonyl fluoride
CID 168714851
5-oxo-1-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethyl]pyrrolidine-3-sulfonyl fluoride
CID 168714890
1-(2-pyridin-3-ylethyl)pyrrolidin-2-one
CID 59074969
(4S)-1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 42521409
1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714823

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2-pyridin-3-ylethyl)pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-(2-pyridin-3-ylethyl)pyrrolidine-3-sulfonyl fluoride (CID 168714925) is 5-oxo-1-(2-pyridin-3-ylethyl)pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-(2-pyridin-3-ylethyl)pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-(2-pyridin-3-ylethyl)pyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1CCc1cccnc1.
What is the InChIKey of 5-oxo-1-(2-pyridin-3-ylethyl)pyrrolidine-3-sulfonyl fluoride?
The InChIKey is FELGMYKPHACAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3S/c12-18(16,17)10-6-11(15)14(8-10)5-3-9-2-1-4-13-7-9/h1-2,4,7,10H,3,5-6,8H2.
What are the key properties of 5-oxo-1-(2-pyridin-3-ylethyl)pyrrolidine-3-sulfonyl fluoride?
5-oxo-1-(2-pyridin-3-ylethyl)pyrrolidine-3-sulfonyl fluoride has a molecular weight of 272.30 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2-pyridin-3-ylethyl)pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).