8-(2-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

C13H16FNO4S — CID 35398966

IUPAC8-(2-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1F)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H16FNO4S/c14-11-3-1-2-4-12(11)20(16,17)15-7-5-13(6-8-15)18-9-10-19-13/h1-4H,5-10H2
InChIKeyCPZFPQJSYYSOOC-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.35
Rot. Bonds2

About 8-(2-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

8-(2-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 35398966) has the molecular formula C13H16FNO4S and a molecular weight of 301.34 g/mol. Its IUPAC name is 8-(2-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID35398966
Molecular FormulaC13H16FNO4S
Molecular Weight301.34 g/mol
Exact Mass301.08
IUPAC Name8-(2-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1F)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H16FNO4S/c14-11-3-1-2-4-12(11)20(16,17)15-7-5-13(6-8-15)18-9-10-19-13/h1-4H,5-10H2
InChIKeyCPZFPQJSYYSOOC-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

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Related Compounds

8-Tosyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 2242101
8-(2,5-Difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 6464811
8-(Phenylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 735890
8-((4-Chlorophenyl)sulfonyl)-1,4-dioxa-8-azaspiro(4.5)decane
CID 2242102
N-Butyl-4-(1,4-dioxa-8-aza-spiro[4.5]decane-8-sulfonyl)-benzenesulfonamide
CID 3221375
8-(4-Butylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 5167940
8-(3,4-Difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 3828433
8-((4-Bromophenyl)sulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 2242104
8-[(4-Fluorophenyl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 735891
N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide
CID 1433303
8-[4-(4-Methyl-piperidine-1-sulfonyl)-benzenesulfonyl]-1,4-dioxa-8-aza-spiro[4.5]decane
CID 1433312
8-[4-(3-Methyl-piperidine-1-sulfonyl)-benzenesulfonyl]-1,4-dioxa-8-aza-spiro[4.5]decane
CID 3221368

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 35398966) is 8-(2-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is O=S(=O)(c1ccccc1F)N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(2-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is CPZFPQJSYYSOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4S/c14-11-3-1-2-4-12(11)20(16,17)15-7-5-13(6-8-15)18-9-10-19-13/h1-4H,5-10H2.
What are the key properties of 8-(2-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-(2-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-(2-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 35398966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).