1-propyl-3-(thiolan-2-ylmethylamino)pyrrolidine-2,5-dione

C12H20N2O2S — CID 80584773

IUPAC1-propyl-3-(thiolan-2-ylmethylamino)pyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NCC2CCCS2)C1=O
InChIInChI=1S/C12H20N2O2S/c1-2-5-14-11(15)7-10(12(14)16)13-8-9-4-3-6-17-9/h9-10,13H,2-8H2,1H3
InChIKeyBBELTFVGAGDOEP-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.01
Rot. Bonds5

About 1-propyl-3-(thiolan-2-ylmethylamino)pyrrolidine-2,5-dione

1-propyl-3-(thiolan-2-ylmethylamino)pyrrolidine-2,5-dione (PubChem CID 80584773) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-propyl-3-(thiolan-2-ylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-propyl-3-(thiolan-2-ylmethylamino)pyrrolidine-2,5-dione
PubChem CID80584773
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name1-propyl-3-(thiolan-2-ylmethylamino)pyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NCC2CCCS2)C1=O
InChIInChI=1S/C12H20N2O2S/c1-2-5-14-11(15)7-10(12(14)16)13-8-9-4-3-6-17-9/h9-10,13H,2-8H2,1H3
InChIKeyBBELTFVGAGDOEP-UHFFFAOYSA-N
XLogP1.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-propyl-3-(thiolan-2-ylmethylamino)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(thiolan-2-ylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-propyl-3-(thiolan-2-ylmethylamino)pyrrolidine-2,5-dione (CID 80584773) is 1-propyl-3-(thiolan-2-ylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-propyl-3-(thiolan-2-ylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-propyl-3-(thiolan-2-ylmethylamino)pyrrolidine-2,5-dione is CCCN1C(=O)CC(NCC2CCCS2)C1=O.
What is the InChIKey of 1-propyl-3-(thiolan-2-ylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is BBELTFVGAGDOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-2-5-14-11(15)7-10(12(14)16)13-8-9-4-3-6-17-9/h9-10,13H,2-8H2,1H3.
What are the key properties of 1-propyl-3-(thiolan-2-ylmethylamino)pyrrolidine-2,5-dione?
1-propyl-3-(thiolan-2-ylmethylamino)pyrrolidine-2,5-dione has a molecular weight of 256.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(thiolan-2-ylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 80584773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).