8-(3-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

C13H16FNO4S — CID 3274905

IUPAC8-(3-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1cccc(F)c1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H16FNO4S/c14-11-2-1-3-12(10-11)20(16,17)15-6-4-13(5-7-15)18-8-9-19-13/h1-3,10H,4-9H2
InChIKeyYZZMMYNQMUQHHS-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.35
Rot. Bonds2

About 8-(3-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

8-(3-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 3274905) has the molecular formula C13H16FNO4S and a molecular weight of 301.34 g/mol. Its IUPAC name is 8-(3-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID3274905
Molecular FormulaC13H16FNO4S
Molecular Weight301.34 g/mol
Exact Mass301.08
IUPAC Name8-(3-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1cccc(F)c1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H16FNO4S/c14-11-2-1-3-12(10-11)20(16,17)15-6-4-13(5-7-15)18-8-9-19-13/h1-3,10H,4-9H2
InChIKeyYZZMMYNQMUQHHS-UHFFFAOYSA-N
XLogP1.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(3-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(3-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 3274905) is 8-(3-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(3-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is O=S(=O)(c1cccc(F)c1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(3-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is YZZMMYNQMUQHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4S/c14-11-2-1-3-12(10-11)20(16,17)15-6-4-13(5-7-15)18-8-9-19-13/h1-3,10H,4-9H2.
What are the key properties of 8-(3-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-(3-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 301.34 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 3274905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).