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

C19H26FN3O5S — CID 169143987

IUPAC8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCOc1cc(S(=O)(=O)N2CCC3(CC2)CC(N2CC4(COC4)C2)CO3)c(F)cn1
InChIInChI=1S/C19H26FN3O5S/c1-26-17-6-16(15(20)8-21-17)29(24,25)23-4-2-19(3-5-23)7-14(9-28-19)22-10-18(11-22)12-27-13-18/h6,8,14H,2-5,7,9-13H2,1H3
InChIKeySDRUKSJZMAQGLB-UHFFFAOYSA-N
MW427.50 g/mol
LogP0.87
Rot. Bonds4

About 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

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 (PubChem CID 169143987) has the molecular formula C19H26FN3O5S and a molecular weight of 427.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID169143987
Molecular FormulaC19H26FN3O5S
Molecular Weight427.50 g/mol
Exact Mass427.16
IUPAC Name8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCOc1cc(S(=O)(=O)N2CCC3(CC2)CC(N2CC4(COC4)C2)CO3)c(F)cn1
InChIInChI=1S/C19H26FN3O5S/c1-26-17-6-16(15(20)8-21-17)29(24,25)23-4-2-19(3-5-23)7-14(9-28-19)22-10-18(11-22)12-27-13-18/h6,8,14H,2-5,7,9-13H2,1H3
InChIKeySDRUKSJZMAQGLB-UHFFFAOYSA-N
XLogP0.87
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(S(=O)(=O)N2CCC3(CC2)CC(N2CC4(COC4)C2)CO3)c(F)cn1.
What is the InChIKey of 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?
The InChIKey is SDRUKSJZMAQGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O5S/c1-26-17-6-16(15(20)8-21-17)29(24,25)23-4-2-19(3-5-23)7-14(9-28-19)22-10-18(11-22)12-27-13-18/h6,8,14H,2-5,7,9-13H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 427.50 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-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 169143987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).