3-propan-2-ylsulfanylpyrrolidine-2,5-dione

C7H11NO2S — CID 13166909

IUPAC3-propan-2-ylsulfanylpyrrolidine-2,5-dione
SMILESCC(C)SC1CC(=O)NC1=O
InChIInChI=1S/C7H11NO2S/c1-4(2)11-5-3-6(9)8-7(5)10/h4-5H,3H2,1-2H3,(H,8,9,10)
InChIKeySAPODWQOSQKKOZ-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.54
Rot. Bonds2

About 3-propan-2-ylsulfanylpyrrolidine-2,5-dione

3-propan-2-ylsulfanylpyrrolidine-2,5-dione (PubChem CID 13166909) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 3-propan-2-ylsulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-propan-2-ylsulfanylpyrrolidine-2,5-dione
PubChem CID13166909
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name3-propan-2-ylsulfanylpyrrolidine-2,5-dione
SMILESCC(C)SC1CC(=O)NC1=O
InChIInChI=1S/C7H11NO2S/c1-4(2)11-5-3-6(9)8-7(5)10/h4-5H,3H2,1-2H3,(H,8,9,10)
InChIKeySAPODWQOSQKKOZ-UHFFFAOYSA-N
XLogP0.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.54
H-Bond Donors ≤ 51
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 3-propan-2-ylsulfanylpyrrolidine-2,5-dione?
The IUPAC name of 3-propan-2-ylsulfanylpyrrolidine-2,5-dione (CID 13166909) is 3-propan-2-ylsulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-propan-2-ylsulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 3-propan-2-ylsulfanylpyrrolidine-2,5-dione is CC(C)SC1CC(=O)NC1=O.
What is the InChIKey of 3-propan-2-ylsulfanylpyrrolidine-2,5-dione?
The InChIKey is SAPODWQOSQKKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-4(2)11-5-3-6(9)8-7(5)10/h4-5H,3H2,1-2H3,(H,8,9,10).
What are the key properties of 3-propan-2-ylsulfanylpyrrolidine-2,5-dione?
3-propan-2-ylsulfanylpyrrolidine-2,5-dione has a molecular weight of 173.24 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylsulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 13166909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).