(5S)-5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione

C16H20FN3O4S — CID 59794371

IUPAC(5S)-5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(CS(=O)(=O)N2CCC(c3ccc(F)cc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C16H20FN3O4S/c1-16(14(21)18-15(22)19-16)10-25(23,24)20-8-6-12(7-9-20)11-2-4-13(17)5-3-11/h2-5,12H,6-10H2,1H3,(H2,18,19,21,22)/t16-/m1/s1
InChIKeyXEOZUNWHXSYISM-MRXNPFEDSA-N
MW369.42 g/mol
LogP0.93
Rot. Bonds4

About (5S)-5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione

(5S)-5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 59794371) has the molecular formula C16H20FN3O4S and a molecular weight of 369.42 g/mol. Its IUPAC name is (5S)-5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
PubChem CID59794371
Molecular FormulaC16H20FN3O4S
Molecular Weight369.42 g/mol
Exact Mass369.12
IUPAC Name(5S)-5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(CS(=O)(=O)N2CCC(c3ccc(F)cc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C16H20FN3O4S/c1-16(14(21)18-15(22)19-16)10-25(23,24)20-8-6-12(7-9-20)11-2-4-13(17)5-3-11/h2-5,12H,6-10H2,1H3,(H2,18,19,21,22)/t16-/m1/s1
InChIKeyXEOZUNWHXSYISM-MRXNPFEDSA-N
XLogP0.93
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-Benzylpiperidin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 7266408
6-Methyl-3-{2-oxo-2-[4-(2-phenylethenesulfonyl)piperazin-1-yl]ethyl}-1,3-diazaspiro[4.5]decane-2,4-dione
CID 16295011
3-[2-(4-Benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 16303224
3-Tert-butyl-1-{2-[4-(2-phenylethenesulfonyl)piperazin-1-yl]acetyl}urea
CID 6102954
5-Cyclopropyl-5-methyl-3-[2-oxo-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 16319158
5-[[4-(4-Fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 23133513
3-[2-[4-(4-Butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 16319157
3-{2-Oxo-2-[4-(2-phenylethenesulfonyl)piperazin-1-yl]ethyl}-1,3-diazaspiro[4.5]decane-2,4-dione
CID 16320352
3-[2-Oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 24818381
8-(Ethylsulfonyl)-3-(4-fluorobenzyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109554
3-(4-Fluorobenzyl)-8-(propylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109555
1-(2-{3-[2-(2,6-Difluorophenyl)ethyl]-1-piperidinyl}-2-oxoethyl)-5,5-dimethyl-2,4-imidazolidinedione
CID 56865914

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione (CID 59794371) is (5S)-5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione is C[C@]1(CS(=O)(=O)N2CCC(c3ccc(F)cc3)CC2)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is XEOZUNWHXSYISM-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20FN3O4S/c1-16(14(21)18-15(22)19-16)10-25(23,24)20-8-6-12(7-9-20)11-2-4-13(17)5-3-11/h2-5,12H,6-10H2,1H3,(H2,18,19,21,22)/t16-/m1/s1.
What are the key properties of (5S)-5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 369.42 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 59794371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).