3-cyclopropyl-4-(5-fluorosulfonyloxypyridine-3-carbonyl)morpholine

C13H15FN2O5S — CID 154881502

IUPAC3-cyclopropyl-4-(5-fluorosulfonyloxypyridine-3-carbonyl)morpholine
SMILESO=C(c1cncc(OS(=O)(=O)F)c1)N1CCOCC1C1CC1
InChIInChI=1S/C13H15FN2O5S/c14-22(18,19)21-11-5-10(6-15-7-11)13(17)16-3-4-20-8-12(16)9-1-2-9/h5-7,9,12H,1-4,8H2
InChIKeyLHHQTEUZWIPZOY-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.93
Rot. Bonds4

About 3-cyclopropyl-4-(5-fluorosulfonyloxypyridine-3-carbonyl)morpholine

3-cyclopropyl-4-(5-fluorosulfonyloxypyridine-3-carbonyl)morpholine (PubChem CID 154881502) has the molecular formula C13H15FN2O5S and a molecular weight of 330.34 g/mol. Its IUPAC name is 3-cyclopropyl-4-(5-fluorosulfonyloxypyridine-3-carbonyl)morpholine.

Molecular Properties

Compound Name3-cyclopropyl-4-(5-fluorosulfonyloxypyridine-3-carbonyl)morpholine
PubChem CID154881502
Molecular FormulaC13H15FN2O5S
Molecular Weight330.34 g/mol
Exact Mass330.07
IUPAC Name3-cyclopropyl-4-(5-fluorosulfonyloxypyridine-3-carbonyl)morpholine
SMILESO=C(c1cncc(OS(=O)(=O)F)c1)N1CCOCC1C1CC1
InChIInChI=1S/C13H15FN2O5S/c14-22(18,19)21-11-5-10(6-15-7-11)13(17)16-3-4-20-8-12(16)9-1-2-9/h5-7,9,12H,1-4,8H2
InChIKeyLHHQTEUZWIPZOY-UHFFFAOYSA-N
XLogP0.93
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(5-fluorosulfonyloxypyridine-3-carbonyl)morpholine?
The IUPAC name of 3-cyclopropyl-4-(5-fluorosulfonyloxypyridine-3-carbonyl)morpholine (CID 154881502) is 3-cyclopropyl-4-(5-fluorosulfonyloxypyridine-3-carbonyl)morpholine.
What is the SMILES notation for 3-cyclopropyl-4-(5-fluorosulfonyloxypyridine-3-carbonyl)morpholine?
The canonical SMILES for 3-cyclopropyl-4-(5-fluorosulfonyloxypyridine-3-carbonyl)morpholine is O=C(c1cncc(OS(=O)(=O)F)c1)N1CCOCC1C1CC1.
What is the InChIKey of 3-cyclopropyl-4-(5-fluorosulfonyloxypyridine-3-carbonyl)morpholine?
The InChIKey is LHHQTEUZWIPZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O5S/c14-22(18,19)21-11-5-10(6-15-7-11)13(17)16-3-4-20-8-12(16)9-1-2-9/h5-7,9,12H,1-4,8H2.
What are the key properties of 3-cyclopropyl-4-(5-fluorosulfonyloxypyridine-3-carbonyl)morpholine?
3-cyclopropyl-4-(5-fluorosulfonyloxypyridine-3-carbonyl)morpholine has a molecular weight of 330.34 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(5-fluorosulfonyloxypyridine-3-carbonyl)morpholine is sourced from PubChem (CID 154881502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).