8-(4-fluorophenyl)sulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane

C15H20FNO4S — CID 118740863

IUPAC8-(4-fluorophenyl)sulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCOC1COC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C15H20FNO4S/c1-20-13-10-15(21-11-13)6-8-17(9-7-15)22(18,19)14-4-2-12(16)3-5-14/h2-5,13H,6-11H2,1H3
InChIKeyXHOWPEDWENSTOW-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.78
Rot. Bonds3

About 8-(4-fluorophenyl)sulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane

8-(4-fluorophenyl)sulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118740863) has the molecular formula C15H20FNO4S and a molecular weight of 329.39 g/mol. Its IUPAC name is 8-(4-fluorophenyl)sulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-fluorophenyl)sulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID118740863
Molecular FormulaC15H20FNO4S
Molecular Weight329.39 g/mol
Exact Mass329.11
IUPAC Name8-(4-fluorophenyl)sulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCOC1COC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C15H20FNO4S/c1-20-13-10-15(21-11-13)6-8-17(9-7-15)22(18,19)14-4-2-12(16)3-5-14/h2-5,13H,6-11H2,1H3
InChIKeyXHOWPEDWENSTOW-UHFFFAOYSA-N
XLogP1.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)sulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(4-fluorophenyl)sulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane (CID 118740863) is 8-(4-fluorophenyl)sulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(4-fluorophenyl)sulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(4-fluorophenyl)sulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane is COC1COC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 8-(4-fluorophenyl)sulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is XHOWPEDWENSTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4S/c1-20-13-10-15(21-11-13)6-8-17(9-7-15)22(18,19)14-4-2-12(16)3-5-14/h2-5,13H,6-11H2,1H3.
What are the key properties of 8-(4-fluorophenyl)sulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
8-(4-fluorophenyl)sulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 329.39 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)sulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118740863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).