8-[2-(trifluoromethyl)phenyl]sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one

C14H16F3N3O3S — CID 91116804

IUPAC8-[2-(trifluoromethyl)phenyl]sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESO=C1CNC2(CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)N1
InChIInChI=1S/C14H16F3N3O3S/c15-14(16,17)10-3-1-2-4-11(10)24(22,23)20-7-5-13(6-8-20)18-9-12(21)19-13/h1-4,18H,5-9H2,(H,19,21)
InChIKeyUARPQWVRSFVHMM-UHFFFAOYSA-N
MW363.36 g/mol
LogP0.91
Rot. Bonds2

About 8-[2-(trifluoromethyl)phenyl]sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one

8-[2-(trifluoromethyl)phenyl]sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one (PubChem CID 91116804) has the molecular formula C14H16F3N3O3S and a molecular weight of 363.36 g/mol. Its IUPAC name is 8-[2-(trifluoromethyl)phenyl]sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[2-(trifluoromethyl)phenyl]sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one
PubChem CID91116804
Molecular FormulaC14H16F3N3O3S
Molecular Weight363.36 g/mol
Exact Mass363.09
IUPAC Name8-[2-(trifluoromethyl)phenyl]sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESO=C1CNC2(CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)N1
InChIInChI=1S/C14H16F3N3O3S/c15-14(16,17)10-3-1-2-4-11(10)24(22,23)20-7-5-13(6-8-20)18-9-12(21)19-13/h1-4,18H,5-9H2,(H,19,21)
InChIKeyUARPQWVRSFVHMM-UHFFFAOYSA-N
XLogP0.91
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(trifluoromethyl)phenyl]sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[2-(trifluoromethyl)phenyl]sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one (CID 91116804) is 8-[2-(trifluoromethyl)phenyl]sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[2-(trifluoromethyl)phenyl]sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[2-(trifluoromethyl)phenyl]sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one is O=C1CNC2(CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)N1.
What is the InChIKey of 8-[2-(trifluoromethyl)phenyl]sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one?
The InChIKey is UARPQWVRSFVHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3S/c15-14(16,17)10-3-1-2-4-11(10)24(22,23)20-7-5-13(6-8-20)18-9-12(21)19-13/h1-4,18H,5-9H2,(H,19,21).
What are the key properties of 8-[2-(trifluoromethyl)phenyl]sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one?
8-[2-(trifluoromethyl)phenyl]sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one has a molecular weight of 363.36 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(trifluoromethyl)phenyl]sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91116804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).