3-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methyl]imidazolidine-2,4-dione

C17H21N3O4S — CID 71801583

IUPAC3-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CC1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C17H21N3O4S/c21-16-12-18-17(22)20(16)13-15-6-9-19(10-7-15)25(23,24)11-8-14-4-2-1-3-5-14/h1-5,8,11,15H,6-7,9-10,12-13H2,(H,18,22)/b11-8+
InChIKeyLXWFEDSOQOAJAL-DHZHZOJOSA-N
MW363.44 g/mol
LogP1.25
Rot. Bonds5

About 3-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methyl]imidazolidine-2,4-dione

3-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methyl]imidazolidine-2,4-dione (PubChem CID 71801583) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methyl]imidazolidine-2,4-dione
PubChem CID71801583
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name3-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CC1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C17H21N3O4S/c21-16-12-18-17(22)20(16)13-15-6-9-19(10-7-15)25(23,24)11-8-14-4-2-1-3-5-14/h1-5,8,11,15H,6-7,9-10,12-13H2,(H,18,22)/b11-8+
InChIKeyLXWFEDSOQOAJAL-DHZHZOJOSA-N
XLogP1.25
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methyl]imidazolidine-2,4-dione (CID 71801583) is 3-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CC1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of 3-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is LXWFEDSOQOAJAL-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H21N3O4S/c21-16-12-18-17(22)20(16)13-15-6-9-19(10-7-15)25(23,24)11-8-14-4-2-1-3-5-14/h1-5,8,11,15H,6-7,9-10,12-13H2,(H,18,22)/b11-8+.
What are the key properties of 3-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methyl]imidazolidine-2,4-dione?
3-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 363.44 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 71801583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).