9-[3-(trifluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one

C15H17F3N2O4S — CID 54591456

IUPAC9-[3-(trifluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCCN(S(=O)(=O)c1cccc(OC(F)(F)F)c1)C2
InChIInChI=1S/C15H17F3N2O4S/c16-15(17,18)24-11-3-1-4-12(9-11)25(22,23)20-8-2-5-14(10-20)6-7-19-13(14)21/h1,3-4,9H,2,5-8,10H2,(H,19,21)
InChIKeyZCUXZIDGWXCVRF-UHFFFAOYSA-N
MW378.37 g/mol
LogP1.88
Rot. Bonds3

About 9-[3-(trifluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one

9-[3-(trifluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 54591456) has the molecular formula C15H17F3N2O4S and a molecular weight of 378.37 g/mol. Its IUPAC name is 9-[3-(trifluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-[3-(trifluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID54591456
Molecular FormulaC15H17F3N2O4S
Molecular Weight378.37 g/mol
Exact Mass378.09
IUPAC Name9-[3-(trifluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCCN(S(=O)(=O)c1cccc(OC(F)(F)F)c1)C2
InChIInChI=1S/C15H17F3N2O4S/c16-15(17,18)24-11-3-1-4-12(9-11)25(22,23)20-8-2-5-14(10-20)6-7-19-13(14)21/h1,3-4,9H,2,5-8,10H2,(H,19,21)
InChIKeyZCUXZIDGWXCVRF-UHFFFAOYSA-N
XLogP1.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-[3-(trifluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one 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 9-[3-(trifluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-[3-(trifluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one (CID 54591456) is 9-[3-(trifluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-[3-(trifluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-[3-(trifluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one is O=C1NCCC12CCCN(S(=O)(=O)c1cccc(OC(F)(F)F)c1)C2.
What is the InChIKey of 9-[3-(trifluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is ZCUXZIDGWXCVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O4S/c16-15(17,18)24-11-3-1-4-12(9-11)25(22,23)20-8-2-5-14(10-20)6-7-19-13(14)21/h1,3-4,9H,2,5-8,10H2,(H,19,21).
What are the key properties of 9-[3-(trifluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one?
9-[3-(trifluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 378.37 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(trifluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 54591456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).