8-[2-(4-fluorophenoxy)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one

C16H19FN2O5S — CID 91923768

IUPAC8-[2-(4-fluorophenoxy)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCN1C(=O)CS(=O)(=O)C12CCN(C(=O)COc1ccc(F)cc1)CC2
InChIInChI=1S/C16H19FN2O5S/c1-18-15(21)11-25(22,23)16(18)6-8-19(9-7-16)14(20)10-24-13-4-2-12(17)3-5-13/h2-5H,6-11H2,1H3
InChIKeyGSTCTKUGVWYBON-UHFFFAOYSA-N
MW370.40 g/mol
LogP0.41
Rot. Bonds3

About 8-[2-(4-fluorophenoxy)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one

8-[2-(4-fluorophenoxy)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 91923768) has the molecular formula C16H19FN2O5S and a molecular weight of 370.40 g/mol. Its IUPAC name is 8-[2-(4-fluorophenoxy)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[2-(4-fluorophenoxy)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID91923768
Molecular FormulaC16H19FN2O5S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC Name8-[2-(4-fluorophenoxy)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCN1C(=O)CS(=O)(=O)C12CCN(C(=O)COc1ccc(F)cc1)CC2
InChIInChI=1S/C16H19FN2O5S/c1-18-15(21)11-25(22,23)16(18)6-8-19(9-7-16)14(20)10-24-13-4-2-12(17)3-5-13/h2-5H,6-11H2,1H3
InChIKeyGSTCTKUGVWYBON-UHFFFAOYSA-N
XLogP0.41
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-fluorophenoxy)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[2-(4-fluorophenoxy)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (CID 91923768) is 8-[2-(4-fluorophenoxy)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[2-(4-fluorophenoxy)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[2-(4-fluorophenoxy)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is CN1C(=O)CS(=O)(=O)C12CCN(C(=O)COc1ccc(F)cc1)CC2.
What is the InChIKey of 8-[2-(4-fluorophenoxy)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is GSTCTKUGVWYBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O5S/c1-18-15(21)11-25(22,23)16(18)6-8-19(9-7-16)14(20)10-24-13-4-2-12(17)3-5-13/h2-5H,6-11H2,1H3.
What are the key properties of 8-[2-(4-fluorophenoxy)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
8-[2-(4-fluorophenoxy)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 370.40 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-fluorophenoxy)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91923768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).