5-oxo-1-(1-pyridin-4-ylethyl)pyrrolidine-3-sulfonyl fluoride

C11H13FN2O3S — CID 168713177

IUPAC5-oxo-1-(1-pyridin-4-ylethyl)pyrrolidine-3-sulfonyl fluoride
SMILESCC(c1ccncc1)N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C11H13FN2O3S/c1-8(9-2-4-13-5-3-9)14-7-10(6-11(14)15)18(12,16)17/h2-5,8,10H,6-7H2,1H3
InChIKeyYEZWHEORUKZKDI-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.04
Rot. Bonds3

About 5-oxo-1-(1-pyridin-4-ylethyl)pyrrolidine-3-sulfonyl fluoride

5-oxo-1-(1-pyridin-4-ylethyl)pyrrolidine-3-sulfonyl fluoride (PubChem CID 168713177) has the molecular formula C11H13FN2O3S and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-oxo-1-(1-pyridin-4-ylethyl)pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-(1-pyridin-4-ylethyl)pyrrolidine-3-sulfonyl fluoride
PubChem CID168713177
Molecular FormulaC11H13FN2O3S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name5-oxo-1-(1-pyridin-4-ylethyl)pyrrolidine-3-sulfonyl fluoride
SMILESCC(c1ccncc1)N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C11H13FN2O3S/c1-8(9-2-4-13-5-3-9)14-7-10(6-11(14)15)18(12,16)17/h2-5,8,10H,6-7H2,1H3
InChIKeyYEZWHEORUKZKDI-UHFFFAOYSA-N
XLogP1.04
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1-pyridin-4-ylethyl)pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-(1-pyridin-4-ylethyl)pyrrolidine-3-sulfonyl fluoride (CID 168713177) is 5-oxo-1-(1-pyridin-4-ylethyl)pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-(1-pyridin-4-ylethyl)pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-(1-pyridin-4-ylethyl)pyrrolidine-3-sulfonyl fluoride is CC(c1ccncc1)N1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 5-oxo-1-(1-pyridin-4-ylethyl)pyrrolidine-3-sulfonyl fluoride?
The InChIKey is YEZWHEORUKZKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3S/c1-8(9-2-4-13-5-3-9)14-7-10(6-11(14)15)18(12,16)17/h2-5,8,10H,6-7H2,1H3.
What are the key properties of 5-oxo-1-(1-pyridin-4-ylethyl)pyrrolidine-3-sulfonyl fluoride?
5-oxo-1-(1-pyridin-4-ylethyl)pyrrolidine-3-sulfonyl fluoride has a molecular weight of 272.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1-pyridin-4-ylethyl)pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).