2-[2-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decane

C15H19F3N2O2S — CID 56755391

IUPAC2-[2-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1C(F)(F)F)N1CCC2(CCCNC2)C1
InChIInChI=1S/C15H19F3N2O2S/c16-15(17,18)12-4-1-2-5-13(12)23(21,22)20-9-7-14(11-20)6-3-8-19-10-14/h1-2,4-5,19H,3,6-11H2
InChIKeyUXVNHTDPWPMCAQ-UHFFFAOYSA-N
MW348.39 g/mol
LogP2.47
Rot. Bonds2

About 2-[2-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decane

2-[2-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decane (PubChem CID 56755391) has the molecular formula C15H19F3N2O2S and a molecular weight of 348.39 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decane
PubChem CID56755391
Molecular FormulaC15H19F3N2O2S
Molecular Weight348.39 g/mol
Exact Mass348.11
IUPAC Name2-[2-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1C(F)(F)F)N1CCC2(CCCNC2)C1
InChIInChI=1S/C15H19F3N2O2S/c16-15(17,18)12-4-1-2-5-13(12)23(21,22)20-9-7-14(11-20)6-3-8-19-10-14/h1-2,4-5,19H,3,6-11H2
InChIKeyUXVNHTDPWPMCAQ-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decane (CID 56755391) is 2-[2-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decane is O=S(=O)(c1ccccc1C(F)(F)F)N1CCC2(CCCNC2)C1.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decane?
The InChIKey is UXVNHTDPWPMCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2S/c16-15(17,18)12-4-1-2-5-13(12)23(21,22)20-9-7-14(11-20)6-3-8-19-10-14/h1-2,4-5,19H,3,6-11H2.
What are the key properties of 2-[2-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decane?
2-[2-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decane has a molecular weight of 348.39 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]sulfonyl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 56755391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).