7-[2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide

C17H23F3N2O3S — CID 168907632

IUPAC7-[2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
SMILESCC(C)(CN1CCC2(CC1)CS(=O)(=O)C2)Oc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H23F3N2O3S/c1-15(2,25-13-3-4-14(21-9-13)17(18,19)20)10-22-7-5-16(6-8-22)11-26(23,24)12-16/h3-4,9H,5-8,10-12H2,1-2H3
InChIKeyFGMPABSYHIDNMB-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.77
Rot. Bonds4

About 7-[2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide

7-[2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide (PubChem CID 168907632) has the molecular formula C17H23F3N2O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 7-[2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide.

Molecular Properties

Compound Name7-[2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
PubChem CID168907632
Molecular FormulaC17H23F3N2O3S
Molecular Weight392.44 g/mol
Exact Mass392.14
IUPAC Name7-[2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
SMILESCC(C)(CN1CCC2(CC1)CS(=O)(=O)C2)Oc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H23F3N2O3S/c1-15(2,25-13-3-4-14(21-9-13)17(18,19)20)10-22-7-5-16(6-8-22)11-26(23,24)12-16/h3-4,9H,5-8,10-12H2,1-2H3
InChIKeyFGMPABSYHIDNMB-UHFFFAOYSA-N
XLogP2.77
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The IUPAC name of 7-[2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide (CID 168907632) is 7-[2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide.
What is the SMILES notation for 7-[2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The canonical SMILES for 7-[2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide is CC(C)(CN1CCC2(CC1)CS(=O)(=O)C2)Oc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 7-[2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The InChIKey is FGMPABSYHIDNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O3S/c1-15(2,25-13-3-4-14(21-9-13)17(18,19)20)10-22-7-5-16(6-8-22)11-26(23,24)12-16/h3-4,9H,5-8,10-12H2,1-2H3.
What are the key properties of 7-[2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
7-[2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide has a molecular weight of 392.44 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide is sourced from PubChem (CID 168907632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).