4-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-azaspiro[3.4]octan-6-yl]morpholine

C18H24F3N3O4S — CID 170738200

IUPAC4-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-azaspiro[3.4]octan-6-yl]morpholine
SMILESCOc1ccc(S(=O)(=O)N2CC3(CCC(N4CCOCC4)C3)C2)c(C(F)(F)F)n1
InChIInChI=1S/C18H24F3N3O4S/c1-27-15-3-2-14(16(22-15)18(19,20)21)29(25,26)24-11-17(12-24)5-4-13(10-17)23-6-8-28-9-7-23/h2-3,13H,4-12H2,1H3
InChIKeyKVSXLLCVRZLVDF-UHFFFAOYSA-N
MW435.47 g/mol
LogP1.98
Rot. Bonds4

About 4-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-azaspiro[3.4]octan-6-yl]morpholine

4-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-azaspiro[3.4]octan-6-yl]morpholine (PubChem CID 170738200) has the molecular formula C18H24F3N3O4S and a molecular weight of 435.47 g/mol. Its IUPAC name is 4-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-azaspiro[3.4]octan-6-yl]morpholine.

Molecular Properties

Compound Name4-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-azaspiro[3.4]octan-6-yl]morpholine
PubChem CID170738200
Molecular FormulaC18H24F3N3O4S
Molecular Weight435.47 g/mol
Exact Mass435.14
IUPAC Name4-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-azaspiro[3.4]octan-6-yl]morpholine
SMILESCOc1ccc(S(=O)(=O)N2CC3(CCC(N4CCOCC4)C3)C2)c(C(F)(F)F)n1
InChIInChI=1S/C18H24F3N3O4S/c1-27-15-3-2-14(16(22-15)18(19,20)21)29(25,26)24-11-17(12-24)5-4-13(10-17)23-6-8-28-9-7-23/h2-3,13H,4-12H2,1H3
InChIKeyKVSXLLCVRZLVDF-UHFFFAOYSA-N
XLogP1.98
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-azaspiro[3.4]octan-6-yl]morpholine?
The IUPAC name of 4-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-azaspiro[3.4]octan-6-yl]morpholine (CID 170738200) is 4-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-azaspiro[3.4]octan-6-yl]morpholine.
What is the SMILES notation for 4-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-azaspiro[3.4]octan-6-yl]morpholine?
The canonical SMILES for 4-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-azaspiro[3.4]octan-6-yl]morpholine is COc1ccc(S(=O)(=O)N2CC3(CCC(N4CCOCC4)C3)C2)c(C(F)(F)F)n1.
What is the InChIKey of 4-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-azaspiro[3.4]octan-6-yl]morpholine?
The InChIKey is KVSXLLCVRZLVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O4S/c1-27-15-3-2-14(16(22-15)18(19,20)21)29(25,26)24-11-17(12-24)5-4-13(10-17)23-6-8-28-9-7-23/h2-3,13H,4-12H2,1H3.
What are the key properties of 4-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-azaspiro[3.4]octan-6-yl]morpholine?
4-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-azaspiro[3.4]octan-6-yl]morpholine has a molecular weight of 435.47 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-azaspiro[3.4]octan-6-yl]morpholine is sourced from PubChem (CID 170738200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).