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

C6H10N2O2S — CID 58481320

IUPAC1-(aminomethyl)-3-methylsulfanylpyrrolidine-2,5-dione
SMILESCSC1CC(=O)N(CN)C1=O
InChIInChI=1S/C6H10N2O2S/c1-11-4-2-5(9)8(3-7)6(4)10/h4H,2-3,7H2,1H3
InChIKeyFLQASVULCJTQTJ-UHFFFAOYSA-N
MW174.22 g/mol
LogP-0.61
Rot. Bonds2

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

1-(aminomethyl)-3-methylsulfanylpyrrolidine-2,5-dione (PubChem CID 58481320) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methylsulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(aminomethyl)-3-methylsulfanylpyrrolidine-2,5-dione
PubChem CID58481320
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name1-(aminomethyl)-3-methylsulfanylpyrrolidine-2,5-dione
SMILESCSC1CC(=O)N(CN)C1=O
InChIInChI=1S/C6H10N2O2S/c1-11-4-2-5(9)8(3-7)6(4)10/h4H,2-3,7H2,1H3
InChIKeyFLQASVULCJTQTJ-UHFFFAOYSA-N
XLogP-0.61
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.61
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-(aminomethyl)-3-methylsulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(aminomethyl)-3-methylsulfanylpyrrolidine-2,5-dione (CID 58481320) is 1-(aminomethyl)-3-methylsulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(aminomethyl)-3-methylsulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(aminomethyl)-3-methylsulfanylpyrrolidine-2,5-dione is CSC1CC(=O)N(CN)C1=O.
What is the InChIKey of 1-(aminomethyl)-3-methylsulfanylpyrrolidine-2,5-dione?
The InChIKey is FLQASVULCJTQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-11-4-2-5(9)8(3-7)6(4)10/h4H,2-3,7H2,1H3.
What are the key properties of 1-(aminomethyl)-3-methylsulfanylpyrrolidine-2,5-dione?
1-(aminomethyl)-3-methylsulfanylpyrrolidine-2,5-dione has a molecular weight of 174.22 g/mol, XLogP of -0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methylsulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 58481320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).