1-propylsulfanylpyrrolidine-2,5-dione

C7H11NO2S — CID 57384121

IUPAC1-propylsulfanylpyrrolidine-2,5-dione
SMILESCCCSN1C(=O)CCC1=O
InChIInChI=1S/C7H11NO2S/c1-2-5-11-8-6(9)3-4-7(8)10/h2-5H2,1H3
InChIKeySTDGTTXRFKALAY-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.19
Rot. Bonds3

About 1-propylsulfanylpyrrolidine-2,5-dione

1-propylsulfanylpyrrolidine-2,5-dione (PubChem CID 57384121) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 1-propylsulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-propylsulfanylpyrrolidine-2,5-dione
PubChem CID57384121
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name1-propylsulfanylpyrrolidine-2,5-dione
SMILESCCCSN1C(=O)CCC1=O
InChIInChI=1S/C7H11NO2S/c1-2-5-11-8-6(9)3-4-7(8)10/h2-5H2,1H3
InChIKeySTDGTTXRFKALAY-UHFFFAOYSA-N
XLogP1.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propylsulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-propylsulfanylpyrrolidine-2,5-dione (CID 57384121) is 1-propylsulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-propylsulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-propylsulfanylpyrrolidine-2,5-dione is CCCSN1C(=O)CCC1=O.
What is the InChIKey of 1-propylsulfanylpyrrolidine-2,5-dione?
The InChIKey is STDGTTXRFKALAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-2-5-11-8-6(9)3-4-7(8)10/h2-5H2,1H3.
What are the key properties of 1-propylsulfanylpyrrolidine-2,5-dione?
1-propylsulfanylpyrrolidine-2,5-dione has a molecular weight of 173.24 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 57384121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).