1-[(2-benzylsulfanylphenyl)methyl]pyrrolidine-2,5-dione

C18H17NO2S — CID 10957908

IUPAC1-[(2-benzylsulfanylphenyl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1ccccc1SCc1ccccc1
InChIInChI=1S/C18H17NO2S/c20-17-10-11-18(21)19(17)12-15-8-4-5-9-16(15)22-13-14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyRUMYZVJWMUSOEC-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.63
Rot. Bonds5

About 1-[(2-benzylsulfanylphenyl)methyl]pyrrolidine-2,5-dione

1-[(2-benzylsulfanylphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 10957908) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-[(2-benzylsulfanylphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2-benzylsulfanylphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID10957908
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC Name1-[(2-benzylsulfanylphenyl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1ccccc1SCc1ccccc1
InChIInChI=1S/C18H17NO2S/c20-17-10-11-18(21)19(17)12-15-8-4-5-9-16(15)22-13-14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyRUMYZVJWMUSOEC-UHFFFAOYSA-N
XLogP3.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Benzyl-2-phenylthiazolidin-4-one
CID 231889
3-Benzyl-5-methyl-2-phenyl-thiazolidin-4-one
CID 2839914
3-Benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 3470012
N-benzyl-N-ethyl-2-(phenylsulfonyl)acetamide
CID 2984897
1-benzyl-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 24980824
2-Phenyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 2840183
N-Substituted tetramic acid, 89
CID 91899486
5-keto-1-(4-methylbenzyl)-N-[3-(phenylthio)propyl]pyrrolidine-3-carboxamide
CID 24686809
3-Benzyl-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one
CID 3868155
3-Benzyl-5-methyl-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one
CID 76312059
N-Substituted tetramic acid, 97
CID 91899493
1-[2-(dimethylamino)ethyl]-N-methyl-N-[3-(methylthio)benzyl]-5-oxo-3-pyrrolidinecarboxamide
CID 72885174

Frequently Asked Questions

What is the IUPAC name of 1-[(2-benzylsulfanylphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(2-benzylsulfanylphenyl)methyl]pyrrolidine-2,5-dione (CID 10957908) is 1-[(2-benzylsulfanylphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2-benzylsulfanylphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2-benzylsulfanylphenyl)methyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1Cc1ccccc1SCc1ccccc1.
What is the InChIKey of 1-[(2-benzylsulfanylphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is RUMYZVJWMUSOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c20-17-10-11-18(21)19(17)12-15-8-4-5-9-16(15)22-13-14-6-2-1-3-7-14/h1-9H,10-13H2.
What are the key properties of 1-[(2-benzylsulfanylphenyl)methyl]pyrrolidine-2,5-dione?
1-[(2-benzylsulfanylphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 311.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-benzylsulfanylphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 10957908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).