3-(2-hydroxyethylsulfanyl)-1-naphthalen-2-ylpyrrolidine-2,5-dione

C16H15NO3S — CID 17354862

IUPAC3-(2-hydroxyethylsulfanyl)-1-naphthalen-2-ylpyrrolidine-2,5-dione
SMILESO=C1CC(SCCO)C(=O)N1c1ccc2ccccc2c1
InChIInChI=1S/C16H15NO3S/c18-7-8-21-14-10-15(19)17(16(14)20)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14,18H,7-8,10H2
InChIKeyKBMYGSAWGFHOFF-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.20
Rot. Bonds4

About 3-(2-hydroxyethylsulfanyl)-1-naphthalen-2-ylpyrrolidine-2,5-dione

3-(2-hydroxyethylsulfanyl)-1-naphthalen-2-ylpyrrolidine-2,5-dione (PubChem CID 17354862) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-(2-hydroxyethylsulfanyl)-1-naphthalen-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-hydroxyethylsulfanyl)-1-naphthalen-2-ylpyrrolidine-2,5-dione
PubChem CID17354862
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name3-(2-hydroxyethylsulfanyl)-1-naphthalen-2-ylpyrrolidine-2,5-dione
SMILESO=C1CC(SCCO)C(=O)N1c1ccc2ccccc2c1
InChIInChI=1S/C16H15NO3S/c18-7-8-21-14-10-15(19)17(16(14)20)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14,18H,7-8,10H2
InChIKeyKBMYGSAWGFHOFF-UHFFFAOYSA-N
XLogP2.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethylphenyl)-3-(2-hydroxyethylsulfanyl)pyrrolidine-2,5-dione
CID 17337079
3-[3-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylpropylsulfanyl]-1-phenylpyrrolidine-2,5-dione
CID 132966697
2-[(3S)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-naphthalen-2-ylacetamide
CID 1118615
2-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-naphthalen-2-ylacetamide
CID 2854747
2-[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-naphthalen-2-ylacetamide
CID 1300027
2-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-naphthalen-2-ylacetamide
CID 2827692
ethyl 4-[3-(2-hydroxyethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoate
CID 5152610
3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylpropanoate
CID 6925384
2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetic acid
CID 711215
2-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetic acid
CID 776640
3-(4-methylphenyl)sulfanyl-N'-(1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl)propanehydrazide
CID 4836158
[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl] N'-naphthalen-2-ylcarbamimidothioate
CID 6553341

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylsulfanyl)-1-naphthalen-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-hydroxyethylsulfanyl)-1-naphthalen-2-ylpyrrolidine-2,5-dione (CID 17354862) is 3-(2-hydroxyethylsulfanyl)-1-naphthalen-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-hydroxyethylsulfanyl)-1-naphthalen-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-hydroxyethylsulfanyl)-1-naphthalen-2-ylpyrrolidine-2,5-dione is O=C1CC(SCCO)C(=O)N1c1ccc2ccccc2c1.
What is the InChIKey of 3-(2-hydroxyethylsulfanyl)-1-naphthalen-2-ylpyrrolidine-2,5-dione?
The InChIKey is KBMYGSAWGFHOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c18-7-8-21-14-10-15(19)17(16(14)20)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14,18H,7-8,10H2.
What are the key properties of 3-(2-hydroxyethylsulfanyl)-1-naphthalen-2-ylpyrrolidine-2,5-dione?
3-(2-hydroxyethylsulfanyl)-1-naphthalen-2-ylpyrrolidine-2,5-dione has a molecular weight of 301.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylsulfanyl)-1-naphthalen-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 17354862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).