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

C14H17F3N2O3S — CID 59565076

IUPAC8-[4-(trifluoromethyl)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC2(CC1)NCCO2
InChIInChI=1S/C14H17F3N2O3S/c15-14(16,17)11-1-3-12(4-2-11)23(20,21)19-8-5-13(6-9-19)18-7-10-22-13/h1-4,18H,5-10H2
InChIKeyQYMHMKSKHGIINA-UHFFFAOYSA-N
MW350.36 g/mol
LogP1.81
Rot. Bonds2

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

8-[4-(trifluoromethyl)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 59565076) has the molecular formula C14H17F3N2O3S and a molecular weight of 350.36 g/mol. Its IUPAC name is 8-[4-(trifluoromethyl)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[4-(trifluoromethyl)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID59565076
Molecular FormulaC14H17F3N2O3S
Molecular Weight350.36 g/mol
Exact Mass350.09
IUPAC Name8-[4-(trifluoromethyl)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC2(CC1)NCCO2
InChIInChI=1S/C14H17F3N2O3S/c15-14(16,17)11-1-3-12(4-2-11)23(20,21)19-8-5-13(6-9-19)18-7-10-22-13/h1-4,18H,5-10H2
InChIKeyQYMHMKSKHGIINA-UHFFFAOYSA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[4-(trifluoromethyl)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[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-[4-(trifluoromethyl)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[4-(trifluoromethyl)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 59565076) is 8-[4-(trifluoromethyl)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[4-(trifluoromethyl)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[4-(trifluoromethyl)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC2(CC1)NCCO2.
What is the InChIKey of 8-[4-(trifluoromethyl)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is QYMHMKSKHGIINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3S/c15-14(16,17)11-1-3-12(4-2-11)23(20,21)19-8-5-13(6-9-19)18-7-10-22-13/h1-4,18H,5-10H2.
What are the key properties of 8-[4-(trifluoromethyl)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-[4-(trifluoromethyl)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 350.36 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(trifluoromethyl)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 59565076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).