8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C13H17FN2O3S — CID 59565064

IUPAC8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)NCCO2
InChIInChI=1S/C13H17FN2O3S/c14-11-1-3-12(4-2-11)20(17,18)16-8-5-13(6-9-16)15-7-10-19-13/h1-4,15H,5-10H2
InChIKeyJQJOTCXXGHZZQV-UHFFFAOYSA-N
MW300.35 g/mol
LogP0.93
Rot. Bonds2

About 8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 59565064) has the molecular formula C13H17FN2O3S and a molecular weight of 300.35 g/mol. Its IUPAC name is 8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID59565064
Molecular FormulaC13H17FN2O3S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)NCCO2
InChIInChI=1S/C13H17FN2O3S/c14-11-1-3-12(4-2-11)20(17,18)16-8-5-13(6-9-16)15-7-10-19-13/h1-4,15H,5-10H2
InChIKeyJQJOTCXXGHZZQV-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 59565064) is 8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is O=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)NCCO2.
What is the InChIKey of 8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is JQJOTCXXGHZZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c14-11-1-3-12(4-2-11)20(17,18)16-8-5-13(6-9-16)15-7-10-19-13/h1-4,15H,5-10H2.
What are the key properties of 8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 300.35 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 59565064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).