4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one

C14H17FN2O2S — CID 110197138

IUPAC4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CS(=O)C2(CCNCC2)N1Cc1cccc(F)c1
InChIInChI=1S/C14H17FN2O2S/c15-12-3-1-2-11(8-12)9-17-13(18)10-20(19)14(17)4-6-16-7-5-14/h1-3,8,16H,4-7,9-10H2
InChIKeyDYBGCGAEMKAZME-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.00
Rot. Bonds2

About 4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one

4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 110197138) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID110197138
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC Name4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CS(=O)C2(CCNCC2)N1Cc1cccc(F)c1
InChIInChI=1S/C14H17FN2O2S/c15-12-3-1-2-11(8-12)9-17-13(18)10-20(19)14(17)4-6-16-7-5-14/h1-3,8,16H,4-7,9-10H2
InChIKeyDYBGCGAEMKAZME-UHFFFAOYSA-N
XLogP1.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Fluorophenyl)-1,3-thiazolan-4-one
CID 2732088
2-Phenyl-1,3-thiazolidin-4-one
CID 290165
3-[3-(Dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 2872049
2-(2-Fluoro-phenyl)-3-(2-piperidin-1-yl-ethyl)-thiazolidin-4-one
CID 2881472
3-[3-(Dimethylamino)propyl]-2-(3-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 49860519
3-(2-Aminoethylsulfanyl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione;hydrochloride
CID 2983154
2-(1,4-dioxo-2-phenyl-1,3-thiazolidin-3-yl)-N-octadecylacetamide
CID 10006337
2-(4-Fluorophenyl)-1,3-thiazolidin-4-one
CID 3779101
2-(3,5-dioxothiomorpholino)-N-(4-fluorobenzyl)acetamide
CID 2148177
8-[2-(3-Fluorophenyl)acetyl]-4-methyl-1-oxo-1lambda4-thia-4,8-diazaspiro[4.5]decan-3-one
CID 91920522
3,3'-sulfinylbis(N-benzylpropanamide)
CID 2246004
3-[(2-fluorobenzyl)sulfonyl]-N-(3-piperidin-1-ylpropyl)propanamide
CID 3238643

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one (CID 110197138) is 4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one is O=C1CS(=O)C2(CCNCC2)N1Cc1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is DYBGCGAEMKAZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S/c15-12-3-1-2-11(8-12)9-17-13(18)10-20(19)14(17)4-6-16-7-5-14/h1-3,8,16H,4-7,9-10H2.
What are the key properties of 4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 296.37 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 110197138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).