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

C19H28FN3O4S — CID 176884202

IUPAC2-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine
SMILESCOc1nccc(S(=O)(=O)N2CCC3(CCC(C4CNCCO4)C3)CC2)c1F
InChIInChI=1S/C19H28FN3O4S/c1-26-18-17(20)16(3-7-22-18)28(24,25)23-9-5-19(6-10-23)4-2-14(12-19)15-13-21-8-11-27-15/h3,7,14-15,21H,2,4-6,8-13H2,1H3
InChIKeyNSPOIWUDQJQMPB-UHFFFAOYSA-N
MW413.52 g/mol
LogP1.79
Rot. Bonds4

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

2-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine (PubChem CID 176884202) has the molecular formula C19H28FN3O4S and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine.

Molecular Properties

Compound Name2-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine
PubChem CID176884202
Molecular FormulaC19H28FN3O4S
Molecular Weight413.52 g/mol
Exact Mass413.18
IUPAC Name2-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine
SMILESCOc1nccc(S(=O)(=O)N2CCC3(CCC(C4CNCCO4)C3)CC2)c1F
InChIInChI=1S/C19H28FN3O4S/c1-26-18-17(20)16(3-7-22-18)28(24,25)23-9-5-19(6-10-23)4-2-14(12-19)15-13-21-8-11-27-15/h3,7,14-15,21H,2,4-6,8-13H2,1H3
InChIKeyNSPOIWUDQJQMPB-UHFFFAOYSA-N
XLogP1.79
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[8-[(3-fluoro-2-methoxy-4-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 2-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine?
The IUPAC name of 2-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine (CID 176884202) is 2-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine.
What is the SMILES notation for 2-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine?
The canonical SMILES for 2-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine is COc1nccc(S(=O)(=O)N2CCC3(CCC(C4CNCCO4)C3)CC2)c1F.
What is the InChIKey of 2-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine?
The InChIKey is NSPOIWUDQJQMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O4S/c1-26-18-17(20)16(3-7-22-18)28(24,25)23-9-5-19(6-10-23)4-2-14(12-19)15-13-21-8-11-27-15/h3,7,14-15,21H,2,4-6,8-13H2,1H3.
What are the key properties of 2-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine?
2-[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 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]morpholine is sourced from PubChem (CID 176884202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).