3-(2-aminoethylsulfanyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione

C11H14N2O2S2 — CID 2983430

IUPAC3-(2-aminoethylsulfanyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
SMILESNCCSC1CC(=O)N(Cc2cccs2)C1=O
InChIInChI=1S/C11H14N2O2S2/c12-3-5-17-9-6-10(14)13(11(9)15)7-8-2-1-4-16-8/h1-2,4,9H,3,5-7,12H2
InChIKeyZFHMDDMFWUYZPV-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.07
Rot. Bonds5

About 3-(2-aminoethylsulfanyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione

3-(2-aminoethylsulfanyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione (PubChem CID 2983430) has the molecular formula C11H14N2O2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(2-aminoethylsulfanyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-aminoethylsulfanyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
PubChem CID2983430
Molecular FormulaC11H14N2O2S2
Molecular Weight270.38 g/mol
Exact Mass270.05
IUPAC Name3-(2-aminoethylsulfanyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
SMILESNCCSC1CC(=O)N(Cc2cccs2)C1=O
InChIInChI=1S/C11H14N2O2S2/c12-3-5-17-9-6-10(14)13(11(9)15)7-8-2-1-4-16-8/h1-2,4,9H,3,5-7,12H2
InChIKeyZFHMDDMFWUYZPV-UHFFFAOYSA-N
XLogP1.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylsulfanyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-aminoethylsulfanyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione (CID 2983430) is 3-(2-aminoethylsulfanyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-aminoethylsulfanyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-aminoethylsulfanyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione is NCCSC1CC(=O)N(Cc2cccs2)C1=O.
What is the InChIKey of 3-(2-aminoethylsulfanyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione?
The InChIKey is ZFHMDDMFWUYZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S2/c12-3-5-17-9-6-10(14)13(11(9)15)7-8-2-1-4-16-8/h1-2,4,9H,3,5-7,12H2.
What are the key properties of 3-(2-aminoethylsulfanyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione?
3-(2-aminoethylsulfanyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione has a molecular weight of 270.38 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylsulfanyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2983430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).