9-[4-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one

C15H17F3N2O3S — CID 54591312

IUPAC9-[4-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C15H17F3N2O3S/c16-15(17,18)11-2-4-12(5-3-11)24(22,23)20-9-1-6-14(10-20)7-8-19-13(14)21/h2-5H,1,6-10H2,(H,19,21)
InChIKeyAIOVAJHNXYEQJX-UHFFFAOYSA-N
MW362.37 g/mol
LogP2.00
Rot. Bonds2

About 9-[4-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one

9-[4-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 54591312) has the molecular formula C15H17F3N2O3S and a molecular weight of 362.37 g/mol. Its IUPAC name is 9-[4-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-[4-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID54591312
Molecular FormulaC15H17F3N2O3S
Molecular Weight362.37 g/mol
Exact Mass362.09
IUPAC Name9-[4-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C15H17F3N2O3S/c16-15(17,18)11-2-4-12(5-3-11)24(22,23)20-9-1-6-14(10-20)7-8-19-13(14)21/h2-5H,1,6-10H2,(H,19,21)
InChIKeyAIOVAJHNXYEQJX-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-[4-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-[4-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one (CID 54591312) is 9-[4-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-[4-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-[4-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one is O=C1NCCC12CCCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2.
What is the InChIKey of 9-[4-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is AIOVAJHNXYEQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3S/c16-15(17,18)11-2-4-12(5-3-11)24(22,23)20-9-1-6-14(10-20)7-8-19-13(14)21/h2-5H,1,6-10H2,(H,19,21).
What are the key properties of 9-[4-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one?
9-[4-(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-[4-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 54591312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).