methylsulfanylmethane;pyrrolidine-2,5-dione

C6H11NO2S — CID 67151345

IUPACmethylsulfanylmethane;pyrrolidine-2,5-dione
SMILESCSC.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.C2H6S/c6-3-1-2-4(7)5-3;1-3-2/h1-2H2,(H,5,6,7);1-2H3
InChIKeyZENPATJXKOUUKY-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.40
Rot. Bonds

About methylsulfanylmethane;pyrrolidine-2,5-dione

methylsulfanylmethane;pyrrolidine-2,5-dione (PubChem CID 67151345) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is methylsulfanylmethane;pyrrolidine-2,5-dione.

Molecular Properties

Compound Namemethylsulfanylmethane;pyrrolidine-2,5-dione
PubChem CID67151345
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Namemethylsulfanylmethane;pyrrolidine-2,5-dione
SMILESCSC.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.C2H6S/c6-3-1-2-4(7)5-3;1-3-2/h1-2H2,(H,5,6,7);1-2H3
InChIKeyZENPATJXKOUUKY-UHFFFAOYSA-N
XLogP0.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.40
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 methylsulfanylmethane;pyrrolidine-2,5-dione?
The IUPAC name of methylsulfanylmethane;pyrrolidine-2,5-dione (CID 67151345) is methylsulfanylmethane;pyrrolidine-2,5-dione.
What is the SMILES notation for methylsulfanylmethane;pyrrolidine-2,5-dione?
The canonical SMILES for methylsulfanylmethane;pyrrolidine-2,5-dione is CSC.O=C1CCC(=O)N1.
What is the InChIKey of methylsulfanylmethane;pyrrolidine-2,5-dione?
The InChIKey is ZENPATJXKOUUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.C2H6S/c6-3-1-2-4(7)5-3;1-3-2/h1-2H2,(H,5,6,7);1-2H3.
What are the key properties of methylsulfanylmethane;pyrrolidine-2,5-dione?
methylsulfanylmethane;pyrrolidine-2,5-dione has a molecular weight of 161.23 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylmethane;pyrrolidine-2,5-dione is sourced from PubChem (CID 67151345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).