4-[8-[[5-(trifluoromethoxy)-2-pyridinyl]sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine

C19H26F3N3O4S — CID 170121051

IUPAC4-[8-[[5-(trifluoromethoxy)-2-pyridinyl]sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cn1)N1CCC2(CCC(N3CCOCC3)C2)CC1
InChIInChI=1S/C19H26F3N3O4S/c20-19(21,22)29-16-1-2-17(23-14-16)30(26,27)25-7-5-18(6-8-25)4-3-15(13-18)24-9-11-28-12-10-24/h1-2,14-15H,3-13H2
InChIKeyZCZFLNYZLUMAJW-UHFFFAOYSA-N
MW449.50 g/mol
LogP2.64
Rot. Bonds4

About 4-[8-[[5-(trifluoromethoxy)-2-pyridinyl]sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine

4-[8-[[5-(trifluoromethoxy)-2-pyridinyl]sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine (PubChem CID 170121051) has the molecular formula C19H26F3N3O4S and a molecular weight of 449.50 g/mol. Its IUPAC name is 4-[8-[[5-(trifluoromethoxy)-2-pyridinyl]sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine.

Molecular Properties

Compound Name4-[8-[[5-(trifluoromethoxy)-2-pyridinyl]sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine
PubChem CID170121051
Molecular FormulaC19H26F3N3O4S
Molecular Weight449.50 g/mol
Exact Mass449.16
IUPAC Name4-[8-[[5-(trifluoromethoxy)-2-pyridinyl]sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cn1)N1CCC2(CCC(N3CCOCC3)C2)CC1
InChIInChI=1S/C19H26F3N3O4S/c20-19(21,22)29-16-1-2-17(23-14-16)30(26,27)25-7-5-18(6-8-25)4-3-15(13-18)24-9-11-28-12-10-24/h1-2,14-15H,3-13H2
InChIKeyZCZFLNYZLUMAJW-UHFFFAOYSA-N
XLogP2.64
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[8-[[5-(trifluoromethoxy)-2-pyridinyl]sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[8-[[5-(trifluoromethoxy)-2-pyridinyl]sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine?
The IUPAC name of 4-[8-[[5-(trifluoromethoxy)-2-pyridinyl]sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine (CID 170121051) is 4-[8-[[5-(trifluoromethoxy)-2-pyridinyl]sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine.
What is the SMILES notation for 4-[8-[[5-(trifluoromethoxy)-2-pyridinyl]sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine?
The canonical SMILES for 4-[8-[[5-(trifluoromethoxy)-2-pyridinyl]sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine is O=S(=O)(c1ccc(OC(F)(F)F)cn1)N1CCC2(CCC(N3CCOCC3)C2)CC1.
What is the InChIKey of 4-[8-[[5-(trifluoromethoxy)-2-pyridinyl]sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine?
The InChIKey is ZCZFLNYZLUMAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O4S/c20-19(21,22)29-16-1-2-17(23-14-16)30(26,27)25-7-5-18(6-8-25)4-3-15(13-18)24-9-11-28-12-10-24/h1-2,14-15H,3-13H2.
What are the key properties of 4-[8-[[5-(trifluoromethoxy)-2-pyridinyl]sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine?
4-[8-[[5-(trifluoromethoxy)-2-pyridinyl]sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine has a molecular weight of 449.50 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[[5-(trifluoromethoxy)-2-pyridinyl]sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine is sourced from PubChem (CID 170121051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).