1-(2-hydroxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione

C7H11NO3S — CID 70560201

IUPAC1-(2-hydroxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione
SMILESCSC1CC(=O)N(CCO)C1=O
InChIInChI=1S/C7H11NO3S/c1-12-5-4-6(10)8(2-3-9)7(5)11/h5,9H,2-4H2,1H3
InChIKeyBBMDJVFPJNFZDV-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.53
Rot. Bonds3

About 1-(2-hydroxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione

1-(2-hydroxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione (PubChem CID 70560201) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione
PubChem CID70560201
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name1-(2-hydroxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione
SMILESCSC1CC(=O)N(CCO)C1=O
InChIInChI=1S/C7H11NO3S/c1-12-5-4-6(10)8(2-3-9)7(5)11/h5,9H,2-4H2,1H3
InChIKeyBBMDJVFPJNFZDV-UHFFFAOYSA-N
XLogP-0.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.53
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 1-(2-hydroxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione (CID 70560201) is 1-(2-hydroxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione is CSC1CC(=O)N(CCO)C1=O.
What is the InChIKey of 1-(2-hydroxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione?
The InChIKey is BBMDJVFPJNFZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c1-12-5-4-6(10)8(2-3-9)7(5)11/h5,9H,2-4H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione?
1-(2-hydroxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione has a molecular weight of 189.24 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 70560201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).