1-(2-methylpropyl)-3-propan-2-ylsulfanylpyrrolidine-2,5-dione

C11H19NO2S — CID 14181919

IUPAC1-(2-methylpropyl)-3-propan-2-ylsulfanylpyrrolidine-2,5-dione
SMILESCC(C)CN1C(=O)CC(SC(C)C)C1=O
InChIInChI=1S/C11H19NO2S/c1-7(2)6-12-10(13)5-9(11(12)14)15-8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyXXXLRTUDTWJQKB-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.91
Rot. Bonds4

About 1-(2-methylpropyl)-3-propan-2-ylsulfanylpyrrolidine-2,5-dione

1-(2-methylpropyl)-3-propan-2-ylsulfanylpyrrolidine-2,5-dione (PubChem CID 14181919) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-propan-2-ylsulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-propan-2-ylsulfanylpyrrolidine-2,5-dione
PubChem CID14181919
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name1-(2-methylpropyl)-3-propan-2-ylsulfanylpyrrolidine-2,5-dione
SMILESCC(C)CN1C(=O)CC(SC(C)C)C1=O
InChIInChI=1S/C11H19NO2S/c1-7(2)6-12-10(13)5-9(11(12)14)15-8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyXXXLRTUDTWJQKB-UHFFFAOYSA-N
XLogP1.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-methylpropyl)-3-propan-2-ylsulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-methylpropyl)-3-propan-2-ylsulfanylpyrrolidine-2,5-dione (CID 14181919) is 1-(2-methylpropyl)-3-propan-2-ylsulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-methylpropyl)-3-propan-2-ylsulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-methylpropyl)-3-propan-2-ylsulfanylpyrrolidine-2,5-dione is CC(C)CN1C(=O)CC(SC(C)C)C1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-propan-2-ylsulfanylpyrrolidine-2,5-dione?
The InChIKey is XXXLRTUDTWJQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-7(2)6-12-10(13)5-9(11(12)14)15-8(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 1-(2-methylpropyl)-3-propan-2-ylsulfanylpyrrolidine-2,5-dione?
1-(2-methylpropyl)-3-propan-2-ylsulfanylpyrrolidine-2,5-dione has a molecular weight of 229.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-propan-2-ylsulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 14181919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).