5-methyl-5-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione

C18H25N3O5S — CID 139012491

IUPAC5-methyl-5-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
SMILESCCCOc1ccc(S(=O)(=O)N2CCC(C3(C)NC(=O)NC3=O)CC2)cc1
InChIInChI=1S/C18H25N3O5S/c1-3-12-26-14-4-6-15(7-5-14)27(24,25)21-10-8-13(9-11-21)18(2)16(22)19-17(23)20-18/h4-7,13H,3,8-12H2,1-2H3,(H2,19,20,22,23)
InChIKeyKKVWAQKNPBEHBN-UHFFFAOYSA-N
MW395.48 g/mol
LogP1.47
Rot. Bonds6

About 5-methyl-5-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione

5-methyl-5-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 139012491) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is 5-methyl-5-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
PubChem CID139012491
Molecular FormulaC18H25N3O5S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC Name5-methyl-5-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
SMILESCCCOc1ccc(S(=O)(=O)N2CCC(C3(C)NC(=O)NC3=O)CC2)cc1
InChIInChI=1S/C18H25N3O5S/c1-3-12-26-14-4-6-15(7-5-14)27(24,25)21-10-8-13(9-11-21)18(2)16(22)19-17(23)20-18/h4-7,13H,3,8-12H2,1-2H3,(H2,19,20,22,23)
InChIKeyKKVWAQKNPBEHBN-UHFFFAOYSA-N
XLogP1.47
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 51.47
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-methyl-5-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione (CID 139012491) is 5-methyl-5-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione is CCCOc1ccc(S(=O)(=O)N2CCC(C3(C)NC(=O)NC3=O)CC2)cc1.
What is the InChIKey of 5-methyl-5-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is KKVWAQKNPBEHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5S/c1-3-12-26-14-4-6-15(7-5-14)27(24,25)21-10-8-13(9-11-21)18(2)16(22)19-17(23)20-18/h4-7,13H,3,8-12H2,1-2H3,(H2,19,20,22,23).
What are the key properties of 5-methyl-5-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione?
5-methyl-5-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 395.48 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 139012491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).