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

C19H28FN3O4S — CID 169144022

IUPAC4-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine
SMILESCOc1nccc(S(=O)(=O)N2CCC3(CCC(N4CCOCC4)C3)CC2)c1F
InChIInChI=1S/C19H28FN3O4S/c1-26-18-17(20)16(3-7-21-18)28(24,25)23-8-5-19(6-9-23)4-2-15(14-19)22-10-12-27-13-11-22/h3,7,15H,2,4-6,8-14H2,1H3
InChIKeySRNQGXKCGGASBM-UHFFFAOYSA-N
MW413.52 g/mol
LogP1.88
Rot. Bonds4

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

4-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine (PubChem CID 169144022) has the molecular formula C19H28FN3O4S and a molecular weight of 413.52 g/mol. Its IUPAC name is 4-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine.

Molecular Properties

Compound Name4-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine
PubChem CID169144022
Molecular FormulaC19H28FN3O4S
Molecular Weight413.52 g/mol
Exact Mass413.18
IUPAC Name4-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine
SMILESCOc1nccc(S(=O)(=O)N2CCC3(CCC(N4CCOCC4)C3)CC2)c1F
InChIInChI=1S/C19H28FN3O4S/c1-26-18-17(20)16(3-7-21-18)28(24,25)23-8-5-19(6-9-23)4-2-15(14-19)22-10-12-27-13-11-22/h3,7,15H,2,4-6,8-14H2,1H3
InChIKeySRNQGXKCGGASBM-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

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

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Related Compounds

2-(4-Fluorophenyl)sulfonyl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane
CID 131656025
8-[(5-Fluoro-2-methoxy-4-pyridinyl)sulfonyl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane
CID 169143987
6-[8-[(5-Fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 169144027
8-[(5-Fluoro-2-methoxy-4-pyridinyl)sulfanyl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane
CID 169144074
4-[8-[(3-Fluoro-2-methoxy-4-pyridinyl)sulfanyl]-8-azaspiro[4.5]decan-3-yl]morpholine
CID 170119890
4-[8-[(5-Fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine
CID 170121050
4-[8-[[5-(Trifluoromethoxy)-2-pyridinyl]sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine
CID 170121051
8-[(5-Fluoro-2-methoxy-4-pyridinyl)sulfonyl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 170121162
4-[7-[[6-(Difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine
CID 170121212
4-[2-[[6-Methoxy-2-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-azaspiro[3.4]octan-6-yl]morpholine
CID 170738200
2-[8-[(3-Fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine
CID 176884202
4-[2-[[2-Methoxy-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-azaspiro[3.4]octan-6-yl]morpholine
CID 176889757

Frequently Asked Questions

What is the IUPAC name of 4-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine?
The IUPAC name of 4-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine (CID 169144022) is 4-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine.
What is the SMILES notation for 4-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine?
The canonical SMILES for 4-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine is COc1nccc(S(=O)(=O)N2CCC3(CCC(N4CCOCC4)C3)CC2)c1F.
What is the InChIKey of 4-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine?
The InChIKey is SRNQGXKCGGASBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O4S/c1-26-18-17(20)16(3-7-21-18)28(24,25)23-8-5-19(6-9-23)4-2-15(14-19)22-10-12-27-13-11-22/h3,7,15H,2,4-6,8-14H2,1H3.
What are the key properties of 4-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine?
4-[8-[(3-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-[(3-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine is sourced from PubChem (CID 169144022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).