1-cyclopropyl-3-(2-methylsulfonylethylamino)pyrrolidine-2,5-dione

C10H16N2O4S — CID 54934783

IUPAC1-cyclopropyl-3-(2-methylsulfonylethylamino)pyrrolidine-2,5-dione
SMILESCS(=O)(=O)CCNC1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C10H16N2O4S/c1-17(15,16)5-4-11-8-6-9(13)12(10(8)14)7-2-3-7/h7-8,11H,2-6H2,1H3
InChIKeyWZGGHHOMDSJQNK-UHFFFAOYSA-N
MW260.31 g/mol
LogP-1.09
Rot. Bonds5

About 1-cyclopropyl-3-(2-methylsulfonylethylamino)pyrrolidine-2,5-dione

1-cyclopropyl-3-(2-methylsulfonylethylamino)pyrrolidine-2,5-dione (PubChem CID 54934783) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-methylsulfonylethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-methylsulfonylethylamino)pyrrolidine-2,5-dione
PubChem CID54934783
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name1-cyclopropyl-3-(2-methylsulfonylethylamino)pyrrolidine-2,5-dione
SMILESCS(=O)(=O)CCNC1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C10H16N2O4S/c1-17(15,16)5-4-11-8-6-9(13)12(10(8)14)7-2-3-7/h7-8,11H,2-6H2,1H3
InChIKeyWZGGHHOMDSJQNK-UHFFFAOYSA-N
XLogP-1.09
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-1.09
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 1-cyclopropyl-3-(2-methylsulfonylethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopropyl-3-(2-methylsulfonylethylamino)pyrrolidine-2,5-dione (CID 54934783) is 1-cyclopropyl-3-(2-methylsulfonylethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopropyl-3-(2-methylsulfonylethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopropyl-3-(2-methylsulfonylethylamino)pyrrolidine-2,5-dione is CS(=O)(=O)CCNC1CC(=O)N(C2CC2)C1=O.
What is the InChIKey of 1-cyclopropyl-3-(2-methylsulfonylethylamino)pyrrolidine-2,5-dione?
The InChIKey is WZGGHHOMDSJQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-17(15,16)5-4-11-8-6-9(13)12(10(8)14)7-2-3-7/h7-8,11H,2-6H2,1H3.
What are the key properties of 1-cyclopropyl-3-(2-methylsulfonylethylamino)pyrrolidine-2,5-dione?
1-cyclopropyl-3-(2-methylsulfonylethylamino)pyrrolidine-2,5-dione has a molecular weight of 260.31 g/mol, XLogP of -1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-methylsulfonylethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 54934783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).