3-(2-methylsulfanylethylamino)pyrrolidine-2,5-dione

C7H12N2O2S — CID 63966409

IUPAC3-(2-methylsulfanylethylamino)pyrrolidine-2,5-dione
SMILESCSCCNC1CC(=O)NC1=O
InChIInChI=1S/C7H12N2O2S/c1-12-3-2-8-5-4-6(10)9-7(5)11/h5,8H,2-4H2,1H3,(H,9,10,11)
InChIKeyFRVGBUYCSMMLIB-UHFFFAOYSA-N
MW188.25 g/mol
LogP-0.65
Rot. Bonds4

About 3-(2-methylsulfanylethylamino)pyrrolidine-2,5-dione

3-(2-methylsulfanylethylamino)pyrrolidine-2,5-dione (PubChem CID 63966409) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 3-(2-methylsulfanylethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-methylsulfanylethylamino)pyrrolidine-2,5-dione
PubChem CID63966409
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name3-(2-methylsulfanylethylamino)pyrrolidine-2,5-dione
SMILESCSCCNC1CC(=O)NC1=O
InChIInChI=1S/C7H12N2O2S/c1-12-3-2-8-5-4-6(10)9-7(5)11/h5,8H,2-4H2,1H3,(H,9,10,11)
InChIKeyFRVGBUYCSMMLIB-UHFFFAOYSA-N
XLogP-0.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfanylethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-methylsulfanylethylamino)pyrrolidine-2,5-dione (CID 63966409) is 3-(2-methylsulfanylethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-methylsulfanylethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-methylsulfanylethylamino)pyrrolidine-2,5-dione is CSCCNC1CC(=O)NC1=O.
What is the InChIKey of 3-(2-methylsulfanylethylamino)pyrrolidine-2,5-dione?
The InChIKey is FRVGBUYCSMMLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-12-3-2-8-5-4-6(10)9-7(5)11/h5,8H,2-4H2,1H3,(H,9,10,11).
What are the key properties of 3-(2-methylsulfanylethylamino)pyrrolidine-2,5-dione?
3-(2-methylsulfanylethylamino)pyrrolidine-2,5-dione has a molecular weight of 188.25 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfanylethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 63966409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).