3-(1-aminopropan-2-ylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione

C10H16N2O2S — CID 66219616

IUPAC3-(1-aminopropan-2-ylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione
SMILESCC(CN)SC1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C10H16N2O2S/c1-6(5-11)15-8-4-9(13)12(10(8)14)7-2-3-7/h6-8H,2-5,11H2,1H3
InChIKeyJQCJGBAONTZSNA-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.36
Rot. Bonds4

About 3-(1-aminopropan-2-ylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione

3-(1-aminopropan-2-ylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione (PubChem CID 66219616) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-(1-aminopropan-2-ylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1-aminopropan-2-ylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione
PubChem CID66219616
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name3-(1-aminopropan-2-ylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione
SMILESCC(CN)SC1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C10H16N2O2S/c1-6(5-11)15-8-4-9(13)12(10(8)14)7-2-3-7/h6-8H,2-5,11H2,1H3
InChIKeyJQCJGBAONTZSNA-UHFFFAOYSA-N
XLogP0.36
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1-aminopropan-2-ylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione?
The IUPAC name of 3-(1-aminopropan-2-ylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione (CID 66219616) is 3-(1-aminopropan-2-ylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1-aminopropan-2-ylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(1-aminopropan-2-ylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione is CC(CN)SC1CC(=O)N(C2CC2)C1=O.
What is the InChIKey of 3-(1-aminopropan-2-ylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione?
The InChIKey is JQCJGBAONTZSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-6(5-11)15-8-4-9(13)12(10(8)14)7-2-3-7/h6-8H,2-5,11H2,1H3.
What are the key properties of 3-(1-aminopropan-2-ylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione?
3-(1-aminopropan-2-ylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione has a molecular weight of 228.32 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropan-2-ylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione is sourced from PubChem (CID 66219616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).