5-oxo-1-(2-oxoazepan-3-yl)pyrrolidine-3-sulfonyl fluoride

C10H15FN2O4S — CID 168713319

IUPAC5-oxo-1-(2-oxoazepan-3-yl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1NCCCCC1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H15FN2O4S/c11-18(16,17)7-5-9(14)13(6-7)8-3-1-2-4-12-10(8)15/h7-8H,1-6H2,(H,12,15)
InChIKeyZIOFYECAPNSIJU-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.44
Rot. Bonds2

About 5-oxo-1-(2-oxoazepan-3-yl)pyrrolidine-3-sulfonyl fluoride

5-oxo-1-(2-oxoazepan-3-yl)pyrrolidine-3-sulfonyl fluoride (PubChem CID 168713319) has the molecular formula C10H15FN2O4S and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-oxo-1-(2-oxoazepan-3-yl)pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-(2-oxoazepan-3-yl)pyrrolidine-3-sulfonyl fluoride
PubChem CID168713319
Molecular FormulaC10H15FN2O4S
Molecular Weight278.31 g/mol
Exact Mass278.07
IUPAC Name5-oxo-1-(2-oxoazepan-3-yl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1NCCCCC1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H15FN2O4S/c11-18(16,17)7-5-9(14)13(6-7)8-3-1-2-4-12-10(8)15/h7-8H,1-6H2,(H,12,15)
InChIKeyZIOFYECAPNSIJU-UHFFFAOYSA-N
XLogP-0.44
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2-oxoazepan-3-yl)pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-(2-oxoazepan-3-yl)pyrrolidine-3-sulfonyl fluoride (CID 168713319) is 5-oxo-1-(2-oxoazepan-3-yl)pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-(2-oxoazepan-3-yl)pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-(2-oxoazepan-3-yl)pyrrolidine-3-sulfonyl fluoride is O=C1NCCCCC1N1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 5-oxo-1-(2-oxoazepan-3-yl)pyrrolidine-3-sulfonyl fluoride?
The InChIKey is ZIOFYECAPNSIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O4S/c11-18(16,17)7-5-9(14)13(6-7)8-3-1-2-4-12-10(8)15/h7-8H,1-6H2,(H,12,15).
What are the key properties of 5-oxo-1-(2-oxoazepan-3-yl)pyrrolidine-3-sulfonyl fluoride?
5-oxo-1-(2-oxoazepan-3-yl)pyrrolidine-3-sulfonyl fluoride has a molecular weight of 278.31 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2-oxoazepan-3-yl)pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).