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

C16H20FN3O5S — CID 23133606

IUPAC5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(CS(=O)(=O)N2CCC(Oc3ccc(F)cc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C16H20FN3O5S/c1-16(14(21)18-15(22)19-16)10-26(23,24)20-8-6-13(7-9-20)25-12-4-2-11(17)3-5-12/h2-5,13H,6-10H2,1H3,(H2,18,19,21,22)
InChIKeyNCROEDXPKVIJMH-UHFFFAOYSA-N
MW385.42 g/mol
LogP0.60
Rot. Bonds5

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

5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 23133606) has the molecular formula C16H20FN3O5S and a molecular weight of 385.42 g/mol. Its IUPAC name is 5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
PubChem CID23133606
Molecular FormulaC16H20FN3O5S
Molecular Weight385.42 g/mol
Exact Mass385.11
IUPAC Name5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(CS(=O)(=O)N2CCC(Oc3ccc(F)cc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C16H20FN3O5S/c1-16(14(21)18-15(22)19-16)10-26(23,24)20-8-6-13(7-9-20)25-12-4-2-11(17)3-5-12/h2-5,13H,6-10H2,1H3,(H2,18,19,21,22)
InChIKeyNCROEDXPKVIJMH-UHFFFAOYSA-N
XLogP0.60
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione (CID 23133606) is 5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione is CC1(CS(=O)(=O)N2CCC(Oc3ccc(F)cc3)CC2)NC(=O)NC1=O.
What is the InChIKey of 5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is NCROEDXPKVIJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O5S/c1-16(14(21)18-15(22)19-16)10-26(23,24)20-8-6-13(7-9-20)25-12-4-2-11(17)3-5-12/h2-5,13H,6-10H2,1H3,(H2,18,19,21,22).
What are the key properties of 5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 385.42 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 23133606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).