5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonyl fluoride

C9H15FN2O3S — CID 168714760

IUPAC5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1C1CCNCC1
InChIInChI=1S/C9H15FN2O3S/c10-16(14,15)8-5-9(13)12(6-8)7-1-3-11-4-2-7/h7-8,11H,1-6H2
InChIKeyLNRWHYAPPMQRCP-UHFFFAOYSA-N
MW250.29 g/mol
LogP-0.36
Rot. Bonds2

About 5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonyl fluoride

5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonyl fluoride (PubChem CID 168714760) has the molecular formula C9H15FN2O3S and a molecular weight of 250.29 g/mol. Its IUPAC name is 5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonyl fluoride
PubChem CID168714760
Molecular FormulaC9H15FN2O3S
Molecular Weight250.29 g/mol
Exact Mass250.08
IUPAC Name5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1C1CCNCC1
InChIInChI=1S/C9H15FN2O3S/c10-16(14,15)8-5-9(13)12(6-8)7-1-3-11-4-2-7/h7-8,11H,1-6H2
InChIKeyLNRWHYAPPMQRCP-UHFFFAOYSA-N
XLogP-0.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonyl fluoride (CID 168714760) is 5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1C1CCNCC1.
What is the InChIKey of 5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonyl fluoride?
The InChIKey is LNRWHYAPPMQRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O3S/c10-16(14,15)8-5-9(13)12(6-8)7-1-3-11-4-2-7/h7-8,11H,1-6H2.
What are the key properties of 5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonyl fluoride?
5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonyl fluoride has a molecular weight of 250.29 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).