9-(4-fluorophenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane

C19H27FN2O4S — CID 91919068

IUPAC9-(4-fluorophenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)CC(N1CCOCC1)CCO2
InChIInChI=1S/C19H27FN2O4S/c20-16-1-3-18(4-2-16)27(23,24)22-8-6-19(7-9-22)15-17(5-12-26-19)21-10-13-25-14-11-21/h1-4,17H,5-15H2
InChIKeyPSUPVYRLINQBNB-UHFFFAOYSA-N
MW398.50 g/mol
LogP1.86
Rot. Bonds3

About 9-(4-fluorophenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane

9-(4-fluorophenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 91919068) has the molecular formula C19H27FN2O4S and a molecular weight of 398.50 g/mol. Its IUPAC name is 9-(4-fluorophenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(4-fluorophenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane
PubChem CID91919068
Molecular FormulaC19H27FN2O4S
Molecular Weight398.50 g/mol
Exact Mass398.17
IUPAC Name9-(4-fluorophenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)CC(N1CCOCC1)CCO2
InChIInChI=1S/C19H27FN2O4S/c20-16-1-3-18(4-2-16)27(23,24)22-8-6-19(7-9-22)15-17(5-12-26-19)21-10-13-25-14-11-21/h1-4,17H,5-15H2
InChIKeyPSUPVYRLINQBNB-UHFFFAOYSA-N
XLogP1.86
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-(4-fluorophenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane (CID 91919068) is 9-(4-fluorophenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(4-fluorophenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-(4-fluorophenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane is O=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)CC(N1CCOCC1)CCO2.
What is the InChIKey of 9-(4-fluorophenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is PSUPVYRLINQBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O4S/c20-16-1-3-18(4-2-16)27(23,24)22-8-6-19(7-9-22)15-17(5-12-26-19)21-10-13-25-14-11-21/h1-4,17H,5-15H2.
What are the key properties of 9-(4-fluorophenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane?
9-(4-fluorophenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 398.50 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 91919068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).