1-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione

C17H26N2O7S — CID 164585890

IUPAC1-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCOCCOCCOCCN2C(=O)CC(S)C2=O)C1=O
InChIInChI=1S/C17H26N2O7S/c1-12-10-14(20)18(16(12)22)2-4-24-6-8-26-9-7-25-5-3-19-15(21)11-13(27)17(19)23/h12-13,27H,2-11H2,1H3
InChIKeyRDAWFDFFXMQICF-UHFFFAOYSA-N
MW402.47 g/mol
LogP-0.51
Rot. Bonds12

About 1-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione

1-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 164585890) has the molecular formula C17H26N2O7S and a molecular weight of 402.47 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione
PubChem CID164585890
Molecular FormulaC17H26N2O7S
Molecular Weight402.47 g/mol
Exact Mass402.15
IUPAC Name1-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCOCCOCCOCCN2C(=O)CC(S)C2=O)C1=O
InChIInChI=1S/C17H26N2O7S/c1-12-10-14(20)18(16(12)22)2-4-24-6-8-26-9-7-25-5-3-19-15(21)11-13(27)17(19)23/h12-13,27H,2-11H2,1H3
InChIKeyRDAWFDFFXMQICF-UHFFFAOYSA-N
XLogP-0.51
TPSA102.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione (CID 164585890) is 1-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(CCOCCOCCOCCN2C(=O)CC(S)C2=O)C1=O.
What is the InChIKey of 1-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is RDAWFDFFXMQICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O7S/c1-12-10-14(20)18(16(12)22)2-4-24-6-8-26-9-7-25-5-3-19-15(21)11-13(27)17(19)23/h12-13,27H,2-11H2,1H3.
What are the key properties of 1-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione?
1-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 402.47 g/mol, XLogP of -0.51, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 164585890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).