4-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine

C19H26F3N3O3S — CID 169144061

IUPAC4-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine
SMILESCc1nc(C(F)(F)F)ccc1S(=O)(=O)N1CCC2(CC1)CC(N1CCOCC1)C2
InChIInChI=1S/C19H26F3N3O3S/c1-14-16(2-3-17(23-14)19(20,21)22)29(26,27)25-6-4-18(5-7-25)12-15(13-18)24-8-10-28-11-9-24/h2-3,15H,4-13H2,1H3
InChIKeyPUMRDJQQNWOJCH-UHFFFAOYSA-N
MW433.50 g/mol
LogP2.67
Rot. Bonds3

About 4-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine

4-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine (PubChem CID 169144061) has the molecular formula C19H26F3N3O3S and a molecular weight of 433.50 g/mol. Its IUPAC name is 4-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine.

Molecular Properties

Compound Name4-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine
PubChem CID169144061
Molecular FormulaC19H26F3N3O3S
Molecular Weight433.50 g/mol
Exact Mass433.16
IUPAC Name4-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine
SMILESCc1nc(C(F)(F)F)ccc1S(=O)(=O)N1CCC2(CC1)CC(N1CCOCC1)C2
InChIInChI=1S/C19H26F3N3O3S/c1-14-16(2-3-17(23-14)19(20,21)22)29(26,27)25-6-4-18(5-7-25)12-15(13-18)24-8-10-28-11-9-24/h2-3,15H,4-13H2,1H3
InChIKeyPUMRDJQQNWOJCH-UHFFFAOYSA-N
XLogP2.67
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine?
The IUPAC name of 4-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine (CID 169144061) is 4-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine.
What is the SMILES notation for 4-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine?
The canonical SMILES for 4-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine is Cc1nc(C(F)(F)F)ccc1S(=O)(=O)N1CCC2(CC1)CC(N1CCOCC1)C2.
What is the InChIKey of 4-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine?
The InChIKey is PUMRDJQQNWOJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O3S/c1-14-16(2-3-17(23-14)19(20,21)22)29(26,27)25-6-4-18(5-7-25)12-15(13-18)24-8-10-28-11-9-24/h2-3,15H,4-13H2,1H3.
What are the key properties of 4-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine?
4-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine has a molecular weight of 433.50 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine is sourced from PubChem (CID 169144061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).