2,2-dimethyl-3-[1-[[3-(2-methyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]methyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanal

C18H24N2O6S2 — CID 147238262

IUPAC2,2-dimethyl-3-[1-[[3-(2-methyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]methyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanal
SMILESCC(C=O)CSC1CC(=O)N(CN2C(=O)CC(SCC(C)(C)C=O)C2=O)C1=O
InChIInChI=1S/C18H24N2O6S2/c1-11(6-21)7-27-12-4-14(23)19(16(12)25)10-20-15(24)5-13(17(20)26)28-9-18(2,3)8-22/h6,8,11-13H,4-5,7,9-10H2,1-3H3
InChIKeyLDDAGLUDTDKVFP-UHFFFAOYSA-N
MW428.53 g/mol
LogP0.73
Rot. Bonds10

About 2,2-dimethyl-3-[1-[[3-(2-methyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]methyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanal

2,2-dimethyl-3-[1-[[3-(2-methyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]methyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanal (PubChem CID 147238262) has the molecular formula C18H24N2O6S2 and a molecular weight of 428.53 g/mol. Its IUPAC name is 2,2-dimethyl-3-[1-[[3-(2-methyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]methyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanal.

Molecular Properties

Compound Name2,2-dimethyl-3-[1-[[3-(2-methyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]methyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanal
PubChem CID147238262
Molecular FormulaC18H24N2O6S2
Molecular Weight428.53 g/mol
Exact Mass428.11
IUPAC Name2,2-dimethyl-3-[1-[[3-(2-methyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]methyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanal
SMILESCC(C=O)CSC1CC(=O)N(CN2C(=O)CC(SCC(C)(C)C=O)C2=O)C1=O
InChIInChI=1S/C18H24N2O6S2/c1-11(6-21)7-27-12-4-14(23)19(16(12)25)10-20-15(24)5-13(17(20)26)28-9-18(2,3)8-22/h6,8,11-13H,4-5,7,9-10H2,1-3H3
InChIKeyLDDAGLUDTDKVFP-UHFFFAOYSA-N
XLogP0.73
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-3-[1-[[3-(2-methyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]methyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanal with MolForge

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Related Compounds

3-[(2R)-2,3-dimethylbutyl]sulfanyl-1-(5,5-dimethylhexyl)pyrrolidine-2,5-dione
CID 134175279
1-(5-methylhexyl)-3-(2-methylpropylsulfanyl)pyrrolidine-2,5-dione
CID 154948740
3-ethylsulfanyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione
CID 129268851
3-(2-amino-4-methyl-3-oxopentyl)sulfanyl-1-ethylpyrrolidine-2,5-dione
CID 167447952
1-tert-butyl-3-(2,2-dimethylpropylsulfanyl)pyrrolidine-2,5-dione
CID 71127217
3-(2-aminopropylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione
CID 66217266
1-ethyl-3-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidine-2,5-dione
CID 162242398
3-ethylsulfanyl-1-heptylpyrrolidine-2,5-dione
CID 142573295
dodecyl-[2-(3-dodecylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethyl]-dimethylazanium
CID 132504655
N-[1-(1-tert-butyl-2,5-dioxopyrrolidin-3-yl)sulfanylpropan-2-yl]acetamide;formamide
CID 145189441
2-methyl-3-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylpropanoic acid
CID 64916699
1-(3-methylbutyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 130466769

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[1-[[3-(2-methyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]methyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanal?
The IUPAC name of 2,2-dimethyl-3-[1-[[3-(2-methyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]methyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanal (CID 147238262) is 2,2-dimethyl-3-[1-[[3-(2-methyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]methyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanal.
What is the SMILES notation for 2,2-dimethyl-3-[1-[[3-(2-methyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]methyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanal?
The canonical SMILES for 2,2-dimethyl-3-[1-[[3-(2-methyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]methyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanal is CC(C=O)CSC1CC(=O)N(CN2C(=O)CC(SCC(C)(C)C=O)C2=O)C1=O.
What is the InChIKey of 2,2-dimethyl-3-[1-[[3-(2-methyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]methyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanal?
The InChIKey is LDDAGLUDTDKVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6S2/c1-11(6-21)7-27-12-4-14(23)19(16(12)25)10-20-15(24)5-13(17(20)26)28-9-18(2,3)8-22/h6,8,11-13H,4-5,7,9-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[1-[[3-(2-methyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]methyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanal?
2,2-dimethyl-3-[1-[[3-(2-methyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]methyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanal has a molecular weight of 428.53 g/mol, XLogP of 0.73, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[1-[[3-(2-methyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]methyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanal is sourced from PubChem (CID 147238262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).