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

C19H28FN3O4S — CID 170121050

IUPAC4-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine
SMILESCOc1cc(S(=O)(=O)N2CCC3(CCC(N4CCOCC4)C3)CC2)c(F)cn1
InChIInChI=1S/C19H28FN3O4S/c1-26-18-12-17(16(20)14-21-18)28(24,25)23-6-4-19(5-7-23)3-2-15(13-19)22-8-10-27-11-9-22/h12,14-15H,2-11,13H2,1H3
InChIKeyFUUBJGGHFTUQNF-UHFFFAOYSA-N
MW413.52 g/mol
LogP1.88
Rot. Bonds4

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

4-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine (PubChem CID 170121050) has the molecular formula C19H28FN3O4S and a molecular weight of 413.52 g/mol. Its IUPAC name is 4-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine.

Molecular Properties

Compound Name4-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine
PubChem CID170121050
Molecular FormulaC19H28FN3O4S
Molecular Weight413.52 g/mol
Exact Mass413.18
IUPAC Name4-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine
SMILESCOc1cc(S(=O)(=O)N2CCC3(CCC(N4CCOCC4)C3)CC2)c(F)cn1
InChIInChI=1S/C19H28FN3O4S/c1-26-18-12-17(16(20)14-21-18)28(24,25)23-6-4-19(5-7-23)3-2-15(13-19)22-8-10-27-11-9-22/h12,14-15H,2-11,13H2,1H3
InChIKeyFUUBJGGHFTUQNF-UHFFFAOYSA-N
XLogP1.88
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine?
The IUPAC name of 4-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine (CID 170121050) is 4-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine.
What is the SMILES notation for 4-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine?
The canonical SMILES for 4-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine is COc1cc(S(=O)(=O)N2CCC3(CCC(N4CCOCC4)C3)CC2)c(F)cn1.
What is the InChIKey of 4-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine?
The InChIKey is FUUBJGGHFTUQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O4S/c1-26-18-12-17(16(20)14-21-18)28(24,25)23-6-4-19(5-7-23)3-2-15(13-19)22-8-10-27-11-9-22/h12,14-15H,2-11,13H2,1H3.
What are the key properties of 4-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine?
4-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine has a molecular weight of 413.52 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine is sourced from PubChem (CID 170121050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).