1-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]azetidin-3-ol

C18H24F3N3O3S — CID 169144260

IUPAC1-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]azetidin-3-ol
SMILESCc1nc(C(F)(F)F)ccc1S(=O)(=O)N1CCC2(CC1)CC(N1CC(O)C1)C2
InChIInChI=1S/C18H24F3N3O3S/c1-12-15(2-3-16(22-12)18(19,20)21)28(26,27)24-6-4-17(5-7-24)8-13(9-17)23-10-14(25)11-23/h2-3,13-14,25H,4-11H2,1H3
InChIKeyQWVSKAOLVJIDNA-UHFFFAOYSA-N
MW419.47 g/mol
LogP2.02
Rot. Bonds3

About 1-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]azetidin-3-ol

1-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]azetidin-3-ol (PubChem CID 169144260) has the molecular formula C18H24F3N3O3S and a molecular weight of 419.47 g/mol. Its IUPAC name is 1-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]azetidin-3-ol
PubChem CID169144260
Molecular FormulaC18H24F3N3O3S
Molecular Weight419.47 g/mol
Exact Mass419.15
IUPAC Name1-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]azetidin-3-ol
SMILESCc1nc(C(F)(F)F)ccc1S(=O)(=O)N1CCC2(CC1)CC(N1CC(O)C1)C2
InChIInChI=1S/C18H24F3N3O3S/c1-12-15(2-3-16(22-12)18(19,20)21)28(26,27)24-6-4-17(5-7-24)8-13(9-17)23-10-14(25)11-23/h2-3,13-14,25H,4-11H2,1H3
InChIKeyQWVSKAOLVJIDNA-UHFFFAOYSA-N
XLogP2.02
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]azetidin-3-ol?
The IUPAC name of 1-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]azetidin-3-ol (CID 169144260) is 1-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]azetidin-3-ol.
What is the SMILES notation for 1-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]azetidin-3-ol?
The canonical SMILES for 1-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]azetidin-3-ol is Cc1nc(C(F)(F)F)ccc1S(=O)(=O)N1CCC2(CC1)CC(N1CC(O)C1)C2.
What is the InChIKey of 1-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]azetidin-3-ol?
The InChIKey is QWVSKAOLVJIDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O3S/c1-12-15(2-3-16(22-12)18(19,20)21)28(26,27)24-6-4-17(5-7-24)8-13(9-17)23-10-14(25)11-23/h2-3,13-14,25H,4-11H2,1H3.
What are the key properties of 1-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]azetidin-3-ol?
1-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]azetidin-3-ol has a molecular weight of 419.47 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]azetidin-3-ol is sourced from PubChem (CID 169144260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).