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

C15H17F3N2O3S — CID 54591389

IUPAC9-[3-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCCN(S(=O)(=O)c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C15H17F3N2O3S/c16-15(17,18)11-3-1-4-12(9-11)24(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)
InChIKeySKUPNAQMVLXCMC-UHFFFAOYSA-N
MW362.37 g/mol
LogP2.00
Rot. Bonds2

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

9-[3-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 54591389) has the molecular formula C15H17F3N2O3S and a molecular weight of 362.37 g/mol. Its IUPAC name is 9-[3-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-[3-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID54591389
Molecular FormulaC15H17F3N2O3S
Molecular Weight362.37 g/mol
Exact Mass362.09
IUPAC Name9-[3-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCCN(S(=O)(=O)c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C15H17F3N2O3S/c16-15(17,18)11-3-1-4-12(9-11)24(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)
InChIKeySKUPNAQMVLXCMC-UHFFFAOYSA-N
XLogP2.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-[3-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one (CID 54591389) is 9-[3-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-[3-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-[3-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one is O=C1NCCC12CCCN(S(=O)(=O)c1cccc(C(F)(F)F)c1)C2.
What is the InChIKey of 9-[3-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is SKUPNAQMVLXCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3S/c16-15(17,18)11-3-1-4-12(9-11)24(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-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one?
9-[3-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 362.37 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 54591389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).