3-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]imidazolidine-2,4-dione

C14H17N3O5S — CID 121159649

IUPAC3-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1CN(S(=O)(=O)CCOc2ccccc2)C1
InChIInChI=1S/C14H17N3O5S/c18-13-8-15-14(19)17(13)11-9-16(10-11)23(20,21)7-6-22-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,15,19)
InChIKeyBTALPGIWGDJQGE-UHFFFAOYSA-N
MW339.37 g/mol
LogP-0.37
Rot. Bonds6

About 3-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]imidazolidine-2,4-dione

3-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121159649) has the molecular formula C14H17N3O5S and a molecular weight of 339.37 g/mol. Its IUPAC name is 3-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]imidazolidine-2,4-dione
PubChem CID121159649
Molecular FormulaC14H17N3O5S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC Name3-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1CN(S(=O)(=O)CCOc2ccccc2)C1
InChIInChI=1S/C14H17N3O5S/c18-13-8-15-14(19)17(13)11-9-16(10-11)23(20,21)7-6-22-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,15,19)
InChIKeyBTALPGIWGDJQGE-UHFFFAOYSA-N
XLogP-0.37
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenoxyethyl)-4-(2-phenoxyethylsulfonyl)piperazine-2,6-dione
CID 5337885
3-[1-(3-phenylphenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159666
1-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]-4-phenyltriazole
CID 121150232
2-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]oxyquinoline
CID 122250690
3-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159644
4-(2-phenoxyethylsulfonyl)-7-phenyl-1,4-thiazepane
CID 90629665
1-benzhydryl-4-(2-phenoxyethylsulfonyl)piperazine
CID 90518198
3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160074
3-[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160081
4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)ethoxy]aniline
CID 66394213
1-(2-chlorophenyl)-4-(2-phenoxyethylsulfonyl)piperazine
CID 56764843
3-(4-chlorophenyl)sulfonyl-1-(2-phenoxyethylsulfonyl)pyrrolidine
CID 71806043

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]imidazolidine-2,4-dione (CID 121159649) is 3-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]imidazolidine-2,4-dione is O=C1CNC(=O)N1C1CN(S(=O)(=O)CCOc2ccccc2)C1.
What is the InChIKey of 3-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is BTALPGIWGDJQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5S/c18-13-8-15-14(19)17(13)11-9-16(10-11)23(20,21)7-6-22-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,15,19).
What are the key properties of 3-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]imidazolidine-2,4-dione?
3-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 339.37 g/mol, XLogP of -0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121159649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).