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

C19H28FN3O2S — CID 170119890

IUPAC4-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfanyl]-8-azaspiro[4.5]decan-3-yl]morpholine
SMILESCOc1nccc(SN2CCC3(CCC(N4CCOCC4)C3)CC2)c1F
InChIInChI=1S/C19H28FN3O2S/c1-24-18-17(20)16(3-7-21-18)26-23-8-5-19(6-9-23)4-2-15(14-19)22-10-12-25-13-11-22/h3,7,15H,2,4-6,8-14H2,1H3
InChIKeyUMFQCJMMYMMTFE-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.20
Rot. Bonds4

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

4-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfanyl]-8-azaspiro[4.5]decan-3-yl]morpholine (PubChem CID 170119890) has the molecular formula C19H28FN3O2S and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfanyl]-8-azaspiro[4.5]decan-3-yl]morpholine.

Molecular Properties

Compound Name4-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfanyl]-8-azaspiro[4.5]decan-3-yl]morpholine
PubChem CID170119890
Molecular FormulaC19H28FN3O2S
Molecular Weight381.52 g/mol
Exact Mass381.19
IUPAC Name4-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfanyl]-8-azaspiro[4.5]decan-3-yl]morpholine
SMILESCOc1nccc(SN2CCC3(CCC(N4CCOCC4)C3)CC2)c1F
InChIInChI=1S/C19H28FN3O2S/c1-24-18-17(20)16(3-7-21-18)26-23-8-5-19(6-9-23)4-2-15(14-19)22-10-12-25-13-11-22/h3,7,15H,2,4-6,8-14H2,1H3
InChIKeyUMFQCJMMYMMTFE-UHFFFAOYSA-N
XLogP3.20
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfanyl]-8-azaspiro[4.5]decan-3-yl]morpholine?
The IUPAC name of 4-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfanyl]-8-azaspiro[4.5]decan-3-yl]morpholine (CID 170119890) is 4-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfanyl]-8-azaspiro[4.5]decan-3-yl]morpholine.
What is the SMILES notation for 4-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfanyl]-8-azaspiro[4.5]decan-3-yl]morpholine?
The canonical SMILES for 4-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfanyl]-8-azaspiro[4.5]decan-3-yl]morpholine is COc1nccc(SN2CCC3(CCC(N4CCOCC4)C3)CC2)c1F.
What is the InChIKey of 4-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfanyl]-8-azaspiro[4.5]decan-3-yl]morpholine?
The InChIKey is UMFQCJMMYMMTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2S/c1-24-18-17(20)16(3-7-21-18)26-23-8-5-19(6-9-23)4-2-15(14-19)22-10-12-25-13-11-22/h3,7,15H,2,4-6,8-14H2,1H3.
What are the key properties of 4-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfanyl]-8-azaspiro[4.5]decan-3-yl]morpholine?
4-[8-[(3-fluoro-2-methoxy-4-pyridinyl)sulfanyl]-8-azaspiro[4.5]decan-3-yl]morpholine has a molecular weight of 381.52 g/mol, XLogP of 3.20, 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)sulfanyl]-8-azaspiro[4.5]decan-3-yl]morpholine is sourced from PubChem (CID 170119890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).