8-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

C14H16F3NO4S — CID 5161344

IUPAC8-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H16F3NO4S/c15-14(16,17)11-1-3-12(4-2-11)23(19,20)18-7-5-13(6-8-18)21-9-10-22-13/h1-4H,5-10H2
InChIKeyBSVOXHOVMSMVRL-UHFFFAOYSA-N
MW351.35 g/mol
LogP2.23
Rot. Bonds2

About 8-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

8-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 5161344) has the molecular formula C14H16F3NO4S and a molecular weight of 351.35 g/mol. Its IUPAC name is 8-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID5161344
Molecular FormulaC14H16F3NO4S
Molecular Weight351.35 g/mol
Exact Mass351.08
IUPAC Name8-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H16F3NO4S/c15-14(16,17)11-1-3-12(4-2-11)23(19,20)18-7-5-13(6-8-18)21-9-10-22-13/h1-4H,5-10H2
InChIKeyBSVOXHOVMSMVRL-UHFFFAOYSA-N
XLogP2.23
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

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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-(2,4-Dimethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 6467872
8-(Phenylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 735890
8-(4-Propan-2-ylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 3313428
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-Fluorophenyl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 735891
8-[(2,5-Dimethylphenyl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6467849
4-((2-Methoxyethoxy)methyl)-1-((4-(trifluoromethyl)phenyl)sulfonyl)piperidine
CID 49677834
4-Methoxy-1-((4-(trifluoromethyl)phenyl)sulfonyl)piperidine
CID 49720663
(3S)-3-methyl-8-[3-phenyl-5-(trifluoromethyl)phenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 90681256

Frequently Asked Questions

What is the IUPAC name of 8-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 5161344) is 8-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is BSVOXHOVMSMVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO4S/c15-14(16,17)11-1-3-12(4-2-11)23(19,20)18-7-5-13(6-8-18)21-9-10-22-13/h1-4H,5-10H2.
What are the key properties of 8-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 351.35 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 5161344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).