5-[[4-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazole-2,4-dione

C14H15FN4O5S — CID 141211358

IUPAC5-[[4-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazole-2,4-dione
SMILESO=C1N=C(CS(=O)(=O)N2CCC(Oc3ccc(F)cn3)CC2)C(=O)N1
InChIInChI=1S/C14H15FN4O5S/c15-9-1-2-12(16-7-9)24-10-3-5-19(6-4-10)25(22,23)8-11-13(20)18-14(21)17-11/h1-2,7,10H,3-6,8H2,(H,18,20,21)
InChIKeyNIVLSNJCQXXCRJ-UHFFFAOYSA-N
MW370.36 g/mol
LogP0.08
Rot. Bonds5

About 5-[[4-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazole-2,4-dione

5-[[4-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazole-2,4-dione (PubChem CID 141211358) has the molecular formula C14H15FN4O5S and a molecular weight of 370.36 g/mol. Its IUPAC name is 5-[[4-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazole-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazole-2,4-dione
PubChem CID141211358
Molecular FormulaC14H15FN4O5S
Molecular Weight370.36 g/mol
Exact Mass370.07
IUPAC Name5-[[4-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazole-2,4-dione
SMILESO=C1N=C(CS(=O)(=O)N2CCC(Oc3ccc(F)cn3)CC2)C(=O)N1
InChIInChI=1S/C14H15FN4O5S/c15-9-1-2-12(16-7-9)24-10-3-5-19(6-4-10)25(22,23)8-11-13(20)18-14(21)17-11/h1-2,7,10H,3-6,8H2,(H,18,20,21)
InChIKeyNIVLSNJCQXXCRJ-UHFFFAOYSA-N
XLogP0.08
TPSA118.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazole-2,4-dione?
The IUPAC name of 5-[[4-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazole-2,4-dione (CID 141211358) is 5-[[4-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazole-2,4-dione.
What is the SMILES notation for 5-[[4-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazole-2,4-dione?
The canonical SMILES for 5-[[4-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazole-2,4-dione is O=C1N=C(CS(=O)(=O)N2CCC(Oc3ccc(F)cn3)CC2)C(=O)N1.
What is the InChIKey of 5-[[4-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazole-2,4-dione?
The InChIKey is NIVLSNJCQXXCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O5S/c15-9-1-2-12(16-7-9)24-10-3-5-19(6-4-10)25(22,23)8-11-13(20)18-14(21)17-11/h1-2,7,10H,3-6,8H2,(H,18,20,21).
What are the key properties of 5-[[4-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazole-2,4-dione?
5-[[4-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazole-2,4-dione has a molecular weight of 370.36 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazole-2,4-dione is sourced from PubChem (CID 141211358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).