1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone

C18H20FN3O5S — CID 22515226

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
SMILESCN1C(C(=O)N2CCC3(CC2)OCCO3)=CC(c2ccc(F)cc2)=NS1(=O)=O
InChIInChI=1S/C18H20FN3O5S/c1-21-16(17(23)22-8-6-18(7-9-22)26-10-11-27-18)12-15(20-28(21,24)25)13-2-4-14(19)5-3-13/h2-5,12H,6-11H2,1H3
InChIKeyLIZVPFCDCFCCIW-UHFFFAOYSA-N
MW409.44 g/mol
LogP1.05
Rot. Bonds2

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone (PubChem CID 22515226) has the molecular formula C18H20FN3O5S and a molecular weight of 409.44 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
PubChem CID22515226
Molecular FormulaC18H20FN3O5S
Molecular Weight409.44 g/mol
Exact Mass409.11
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
SMILESCN1C(C(=O)N2CCC3(CC2)OCCO3)=CC(c2ccc(F)cc2)=NS1(=O)=O
InChIInChI=1S/C18H20FN3O5S/c1-21-16(17(23)22-8-6-18(7-9-22)26-10-11-27-18)12-15(20-28(21,24)25)13-2-4-14(19)5-3-13/h2-5,12H,6-11H2,1H3
InChIKeyLIZVPFCDCFCCIW-UHFFFAOYSA-N
XLogP1.05
TPSA88.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]-6-phenylpyridazin-3(2H)-one
CID 4061012
2-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3(2H)-one
CID 4582586
[5-(4-Fluorophenyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-YL](2-methyl-1-piperidinyl)methanone
CID 22515210
(2,6-Dimethyl-1-piperidinyl)[5-(4-fluorophenyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-YL]methanone
CID 22515211
[5-(4-Fluorophenyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-YL](4-morpholinyl)methanone
CID 22515218
1-(4-{[5-(4-Fluorophenyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-YL]carbonyl}-1-piperazinyl)-2,2-dimethyl-1-propanone
CID 22515231
(2-Ethyl-1-piperidinyl)[5-(4-fluorophenyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-YL]methanone
CID 22515209
[(2R)-2-ethylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
CID 92485820
[(2S)-2-ethylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
CID 92485821
[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 92485822
[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 92485823
[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
CID 92485824

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone (CID 22515226) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone is CN1C(C(=O)N2CCC3(CC2)OCCO3)=CC(c2ccc(F)cc2)=NS1(=O)=O.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The InChIKey is LIZVPFCDCFCCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O5S/c1-21-16(17(23)22-8-6-18(7-9-22)26-10-11-27-18)12-15(20-28(21,24)25)13-2-4-14(19)5-3-13/h2-5,12H,6-11H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone has a molecular weight of 409.44 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone is sourced from PubChem (CID 22515226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).