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

C16H22N4O5S — CID 23133451

IUPAC5-methyl-5-[[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
SMILESCc1ccc(OC2CCN(S(=O)(=O)CC3(C)NC(=O)NC3=O)CC2)nc1
InChIInChI=1S/C16H22N4O5S/c1-11-3-4-13(17-9-11)25-12-5-7-20(8-6-12)26(23,24)10-16(2)14(21)18-15(22)19-16/h3-4,9,12H,5-8,10H2,1-2H3,(H2,18,19,21,22)
InChIKeyGDVPSYFHVQKBRG-UHFFFAOYSA-N
MW382.44 g/mol
LogP0.16
Rot. Bonds5

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

5-methyl-5-[[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione (PubChem CID 23133451) has the molecular formula C16H22N4O5S and a molecular weight of 382.44 g/mol. Its IUPAC name is 5-methyl-5-[[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-[[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
PubChem CID23133451
Molecular FormulaC16H22N4O5S
Molecular Weight382.44 g/mol
Exact Mass382.13
IUPAC Name5-methyl-5-[[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
SMILESCc1ccc(OC2CCN(S(=O)(=O)CC3(C)NC(=O)NC3=O)CC2)nc1
InChIInChI=1S/C16H22N4O5S/c1-11-3-4-13(17-9-11)25-12-5-7-20(8-6-12)26(23,24)10-16(2)14(21)18-15(22)19-16/h3-4,9,12H,5-8,10H2,1-2H3,(H2,18,19,21,22)
InChIKeyGDVPSYFHVQKBRG-UHFFFAOYSA-N
XLogP0.16
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methyl-5-[[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-[[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione (CID 23133451) is 5-methyl-5-[[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-[[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-[[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione is Cc1ccc(OC2CCN(S(=O)(=O)CC3(C)NC(=O)NC3=O)CC2)nc1.
What is the InChIKey of 5-methyl-5-[[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The InChIKey is GDVPSYFHVQKBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O5S/c1-11-3-4-13(17-9-11)25-12-5-7-20(8-6-12)26(23,24)10-16(2)14(21)18-15(22)19-16/h3-4,9,12H,5-8,10H2,1-2H3,(H2,18,19,21,22).
What are the key properties of 5-methyl-5-[[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
5-methyl-5-[[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione has a molecular weight of 382.44 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 23133451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).