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

C13H17FN2O2S — CID 134389575

IUPAC8-(4-fluorophenyl)sulfinyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(c1ccc(F)cc1)N1CCC2(CC1)NCCO2
InChIInChI=1S/C13H17FN2O2S/c14-11-1-3-12(4-2-11)19(17)16-8-5-13(6-9-16)15-7-10-18-13/h1-4,15H,5-10H2
InChIKeyOHWYSOFYKHNYNV-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.26
Rot. Bonds2

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

8-(4-fluorophenyl)sulfinyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 134389575) has the molecular formula C13H17FN2O2S and a molecular weight of 284.36 g/mol. Its IUPAC name is 8-(4-fluorophenyl)sulfinyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-fluorophenyl)sulfinyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID134389575
Molecular FormulaC13H17FN2O2S
Molecular Weight284.36 g/mol
Exact Mass284.10
IUPAC Name8-(4-fluorophenyl)sulfinyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(c1ccc(F)cc1)N1CCC2(CC1)NCCO2
InChIInChI=1S/C13H17FN2O2S/c14-11-1-3-12(4-2-11)19(17)16-8-5-13(6-9-16)15-7-10-18-13/h1-4,15H,5-10H2
InChIKeyOHWYSOFYKHNYNV-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)sulfinyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(4-fluorophenyl)sulfinyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 134389575) is 8-(4-fluorophenyl)sulfinyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(4-fluorophenyl)sulfinyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(4-fluorophenyl)sulfinyl-1-oxa-4,8-diazaspiro[4.5]decane is O=S(c1ccc(F)cc1)N1CCC2(CC1)NCCO2.
What is the InChIKey of 8-(4-fluorophenyl)sulfinyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is OHWYSOFYKHNYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2S/c14-11-1-3-12(4-2-11)19(17)16-8-5-13(6-9-16)15-7-10-18-13/h1-4,15H,5-10H2.
What are the key properties of 8-(4-fluorophenyl)sulfinyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-(4-fluorophenyl)sulfinyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 284.36 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)sulfinyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 134389575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).