3-(2-methylpropylsulfanyl)-1-[2-[2-[2-[3-(2-methylpropylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethoxy]ethoxy]ethyl]pyrrolidine-2,5-dione

C22H36N2O6S2 — CID 59349262

IUPAC3-(2-methylpropylsulfanyl)-1-[2-[2-[2-[3-(2-methylpropylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethoxy]ethoxy]ethyl]pyrrolidine-2,5-dione
SMILESCC(C)CSC1CC(=O)N(CCOCCOCCN2C(=O)CC(SCC(C)C)C2=O)C1=O
InChIInChI=1S/C22H36N2O6S2/c1-15(2)13-31-17-11-19(25)23(21(17)27)5-7-29-9-10-30-8-6-24-20(26)12-18(22(24)28)32-14-16(3)4/h15-18H,5-14H2,1-4H3
InChIKeyBMSALGLEPHFGBP-UHFFFAOYSA-N
MW488.67 g/mol
LogP2.05
Rot. Bonds15

About 3-(2-methylpropylsulfanyl)-1-[2-[2-[2-[3-(2-methylpropylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethoxy]ethoxy]ethyl]pyrrolidine-2,5-dione

3-(2-methylpropylsulfanyl)-1-[2-[2-[2-[3-(2-methylpropylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethoxy]ethoxy]ethyl]pyrrolidine-2,5-dione (PubChem CID 59349262) has the molecular formula C22H36N2O6S2 and a molecular weight of 488.67 g/mol. Its IUPAC name is 3-(2-methylpropylsulfanyl)-1-[2-[2-[2-[3-(2-methylpropylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethoxy]ethoxy]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-methylpropylsulfanyl)-1-[2-[2-[2-[3-(2-methylpropylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethoxy]ethoxy]ethyl]pyrrolidine-2,5-dione
PubChem CID59349262
Molecular FormulaC22H36N2O6S2
Molecular Weight488.67 g/mol
Exact Mass488.20
IUPAC Name3-(2-methylpropylsulfanyl)-1-[2-[2-[2-[3-(2-methylpropylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethoxy]ethoxy]ethyl]pyrrolidine-2,5-dione
SMILESCC(C)CSC1CC(=O)N(CCOCCOCCN2C(=O)CC(SCC(C)C)C2=O)C1=O
InChIInChI=1S/C22H36N2O6S2/c1-15(2)13-31-17-11-19(25)23(21(17)27)5-7-29-9-10-30-8-6-24-20(26)12-18(22(24)28)32-14-16(3)4/h15-18H,5-14H2,1-4H3
InChIKeyBMSALGLEPHFGBP-UHFFFAOYSA-N
XLogP2.05
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.67
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylsulfanyl)-1-[2-[2-[2-[3-(2-methylpropylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethoxy]ethoxy]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-methylpropylsulfanyl)-1-[2-[2-[2-[3-(2-methylpropylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethoxy]ethoxy]ethyl]pyrrolidine-2,5-dione (CID 59349262) is 3-(2-methylpropylsulfanyl)-1-[2-[2-[2-[3-(2-methylpropylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethoxy]ethoxy]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-methylpropylsulfanyl)-1-[2-[2-[2-[3-(2-methylpropylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethoxy]ethoxy]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-methylpropylsulfanyl)-1-[2-[2-[2-[3-(2-methylpropylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethoxy]ethoxy]ethyl]pyrrolidine-2,5-dione is CC(C)CSC1CC(=O)N(CCOCCOCCN2C(=O)CC(SCC(C)C)C2=O)C1=O.
What is the InChIKey of 3-(2-methylpropylsulfanyl)-1-[2-[2-[2-[3-(2-methylpropylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethoxy]ethoxy]ethyl]pyrrolidine-2,5-dione?
The InChIKey is BMSALGLEPHFGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O6S2/c1-15(2)13-31-17-11-19(25)23(21(17)27)5-7-29-9-10-30-8-6-24-20(26)12-18(22(24)28)32-14-16(3)4/h15-18H,5-14H2,1-4H3.
What are the key properties of 3-(2-methylpropylsulfanyl)-1-[2-[2-[2-[3-(2-methylpropylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethoxy]ethoxy]ethyl]pyrrolidine-2,5-dione?
3-(2-methylpropylsulfanyl)-1-[2-[2-[2-[3-(2-methylpropylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethoxy]ethoxy]ethyl]pyrrolidine-2,5-dione has a molecular weight of 488.67 g/mol, XLogP of 2.05, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylsulfanyl)-1-[2-[2-[2-[3-(2-methylpropylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethoxy]ethoxy]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 59349262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).