3-(1-aminopropan-2-ylsulfanyl)-1-methylpyrrolidine-2,5-dione

C8H14N2O2S — CID 66218134

IUPAC3-(1-aminopropan-2-ylsulfanyl)-1-methylpyrrolidine-2,5-dione
SMILESCC(CN)SC1CC(=O)N(C)C1=O
InChIInChI=1S/C8H14N2O2S/c1-5(4-9)13-6-3-7(11)10(2)8(6)12/h5-6H,3-4,9H2,1-2H3
InChIKeyOONIXBKYOFGOFP-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.18
Rot. Bonds3

About 3-(1-aminopropan-2-ylsulfanyl)-1-methylpyrrolidine-2,5-dione

3-(1-aminopropan-2-ylsulfanyl)-1-methylpyrrolidine-2,5-dione (PubChem CID 66218134) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 3-(1-aminopropan-2-ylsulfanyl)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1-aminopropan-2-ylsulfanyl)-1-methylpyrrolidine-2,5-dione
PubChem CID66218134
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name3-(1-aminopropan-2-ylsulfanyl)-1-methylpyrrolidine-2,5-dione
SMILESCC(CN)SC1CC(=O)N(C)C1=O
InChIInChI=1S/C8H14N2O2S/c1-5(4-9)13-6-3-7(11)10(2)8(6)12/h5-6H,3-4,9H2,1-2H3
InChIKeyOONIXBKYOFGOFP-UHFFFAOYSA-N
XLogP-0.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.18
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 3-(1-aminopropan-2-ylsulfanyl)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(1-aminopropan-2-ylsulfanyl)-1-methylpyrrolidine-2,5-dione (CID 66218134) is 3-(1-aminopropan-2-ylsulfanyl)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1-aminopropan-2-ylsulfanyl)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(1-aminopropan-2-ylsulfanyl)-1-methylpyrrolidine-2,5-dione is CC(CN)SC1CC(=O)N(C)C1=O.
What is the InChIKey of 3-(1-aminopropan-2-ylsulfanyl)-1-methylpyrrolidine-2,5-dione?
The InChIKey is OONIXBKYOFGOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-5(4-9)13-6-3-7(11)10(2)8(6)12/h5-6H,3-4,9H2,1-2H3.
What are the key properties of 3-(1-aminopropan-2-ylsulfanyl)-1-methylpyrrolidine-2,5-dione?
3-(1-aminopropan-2-ylsulfanyl)-1-methylpyrrolidine-2,5-dione has a molecular weight of 202.28 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropan-2-ylsulfanyl)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 66218134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).