1-methyl-3-(3-methylsulfanylpropylamino)pyrrolidine-2,5-dione

C9H16N2O2S — CID 63967065

IUPAC1-methyl-3-(3-methylsulfanylpropylamino)pyrrolidine-2,5-dione
SMILESCSCCCNC1CC(=O)N(C)C1=O
InChIInChI=1S/C9H16N2O2S/c1-11-8(12)6-7(9(11)13)10-4-3-5-14-2/h7,10H,3-6H2,1-2H3
InChIKeyVEVZFRGJPBADRR-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.09
Rot. Bonds5

About 1-methyl-3-(3-methylsulfanylpropylamino)pyrrolidine-2,5-dione

1-methyl-3-(3-methylsulfanylpropylamino)pyrrolidine-2,5-dione (PubChem CID 63967065) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 1-methyl-3-(3-methylsulfanylpropylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-(3-methylsulfanylpropylamino)pyrrolidine-2,5-dione
PubChem CID63967065
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name1-methyl-3-(3-methylsulfanylpropylamino)pyrrolidine-2,5-dione
SMILESCSCCCNC1CC(=O)N(C)C1=O
InChIInChI=1S/C9H16N2O2S/c1-11-8(12)6-7(9(11)13)10-4-3-5-14-2/h7,10H,3-6H2,1-2H3
InChIKeyVEVZFRGJPBADRR-UHFFFAOYSA-N
XLogP0.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.09
H-Bond Donors ≤ 51
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 1-methyl-3-(3-methylsulfanylpropylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-(3-methylsulfanylpropylamino)pyrrolidine-2,5-dione (CID 63967065) is 1-methyl-3-(3-methylsulfanylpropylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-(3-methylsulfanylpropylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-(3-methylsulfanylpropylamino)pyrrolidine-2,5-dione is CSCCCNC1CC(=O)N(C)C1=O.
What is the InChIKey of 1-methyl-3-(3-methylsulfanylpropylamino)pyrrolidine-2,5-dione?
The InChIKey is VEVZFRGJPBADRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-11-8(12)6-7(9(11)13)10-4-3-5-14-2/h7,10H,3-6H2,1-2H3.
What are the key properties of 1-methyl-3-(3-methylsulfanylpropylamino)pyrrolidine-2,5-dione?
1-methyl-3-(3-methylsulfanylpropylamino)pyrrolidine-2,5-dione has a molecular weight of 216.31 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylsulfanylpropylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 63967065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).