8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane

C18H26FN3O5S — CID 170121162

IUPAC8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCOc1cc(S(=O)(=O)N2CCC3(CC2)CC(N2CCOCC2)CO3)c(F)cn1
InChIInChI=1S/C18H26FN3O5S/c1-25-17-10-16(15(19)12-20-17)28(23,24)22-4-2-18(3-5-22)11-14(13-27-18)21-6-8-26-9-7-21/h10,12,14H,2-9,11,13H2,1H3
InChIKeyZATFCZNZYIWIBA-UHFFFAOYSA-N
MW415.49 g/mol
LogP0.87
Rot. Bonds4

About 8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane

8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 170121162) has the molecular formula C18H26FN3O5S and a molecular weight of 415.49 g/mol. Its IUPAC name is 8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID170121162
Molecular FormulaC18H26FN3O5S
Molecular Weight415.49 g/mol
Exact Mass415.16
IUPAC Name8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCOc1cc(S(=O)(=O)N2CCC3(CC2)CC(N2CCOCC2)CO3)c(F)cn1
InChIInChI=1S/C18H26FN3O5S/c1-25-17-10-16(15(19)12-20-17)28(23,24)22-4-2-18(3-5-22)11-14(13-27-18)21-6-8-26-9-7-21/h10,12,14H,2-9,11,13H2,1H3
InChIKeyZATFCZNZYIWIBA-UHFFFAOYSA-N
XLogP0.87
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane (CID 170121162) is 8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane is COc1cc(S(=O)(=O)N2CCC3(CC2)CC(N2CCOCC2)CO3)c(F)cn1.
What is the InChIKey of 8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is ZATFCZNZYIWIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O5S/c1-25-17-10-16(15(19)12-20-17)28(23,24)22-4-2-18(3-5-22)11-14(13-27-18)21-6-8-26-9-7-21/h10,12,14H,2-9,11,13H2,1H3.
What are the key properties of 8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 415.49 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 170121162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).