3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione

C16H21N3O6S — CID 121160541

IUPAC3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
SMILESCOc1ccc(S(=O)(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1OC
InChIInChI=1S/C16H21N3O6S/c1-24-13-4-3-12(9-14(13)25-2)26(22,23)18-7-5-11(6-8-18)19-15(20)10-17-16(19)21/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,21)
InChIKeyQPJMEAQUERFREC-UHFFFAOYSA-N
MW383.43 g/mol
LogP0.41
Rot. Bonds5

About 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione

3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 121160541) has the molecular formula C16H21N3O6S and a molecular weight of 383.43 g/mol. Its IUPAC name is 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
PubChem CID121160541
Molecular FormulaC16H21N3O6S
Molecular Weight383.43 g/mol
Exact Mass383.12
IUPAC Name3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
SMILESCOc1ccc(S(=O)(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1OC
InChIInChI=1S/C16H21N3O6S/c1-24-13-4-3-12(9-14(13)25-2)26(22,23)18-7-5-11(6-8-18)19-15(20)10-17-16(19)21/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,21)
InChIKeyQPJMEAQUERFREC-UHFFFAOYSA-N
XLogP0.41
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine
CID 121165181
4-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 121160578
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979838
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585253
3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160074
2-(3,4-dimethoxyphenyl)sulfonyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 50949239
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methylpropyl)piperidine
CID 171593389
3-[1-[4-(4-methylphenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160139
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperazin-4-ium
CID 6952496
3-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
CID 121160525
1-(3,4-dimethoxyphenyl)sulfonyl-3-methoxypyrrolidine
CID 108781072
(3S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 79031397

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione (CID 121160541) is 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione is COc1ccc(S(=O)(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1OC.
What is the InChIKey of 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is QPJMEAQUERFREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O6S/c1-24-13-4-3-12(9-14(13)25-2)26(22,23)18-7-5-11(6-8-18)19-15(20)10-17-16(19)21/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,21).
What are the key properties of 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione?
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 383.43 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121160541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).