methyl 2-oxopyrrolidine-1-carbodithioate

C6H9NOS2 — CID 11105882

IUPACmethyl 2-oxopyrrolidine-1-carbodithioate
SMILESCSC(=S)N1CCCC1=O
InChIInChI=1S/C6H9NOS2/c1-10-6(9)7-4-2-3-5(7)8/h2-4H2,1H3
InChIKeyFIWDSNGRPBCMOI-UHFFFAOYSA-N
MW175.28 g/mol
LogP1.26
Rot. Bonds

About methyl 2-oxopyrrolidine-1-carbodithioate

methyl 2-oxopyrrolidine-1-carbodithioate (PubChem CID 11105882) has the molecular formula C6H9NOS2 and a molecular weight of 175.28 g/mol. Its IUPAC name is methyl 2-oxopyrrolidine-1-carbodithioate.

Molecular Properties

Compound Namemethyl 2-oxopyrrolidine-1-carbodithioate
PubChem CID11105882
Molecular FormulaC6H9NOS2
Molecular Weight175.28 g/mol
Exact Mass175.01
IUPAC Namemethyl 2-oxopyrrolidine-1-carbodithioate
SMILESCSC(=S)N1CCCC1=O
InChIInChI=1S/C6H9NOS2/c1-10-6(9)7-4-2-3-5(7)8/h2-4H2,1H3
InChIKeyFIWDSNGRPBCMOI-UHFFFAOYSA-N
XLogP1.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-oxopyrrolidine-1-carbodithioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxopyrrolidine-1-carbodithioate?
The IUPAC name of methyl 2-oxopyrrolidine-1-carbodithioate (CID 11105882) is methyl 2-oxopyrrolidine-1-carbodithioate.
What is the SMILES notation for methyl 2-oxopyrrolidine-1-carbodithioate?
The canonical SMILES for methyl 2-oxopyrrolidine-1-carbodithioate is CSC(=S)N1CCCC1=O.
What is the InChIKey of methyl 2-oxopyrrolidine-1-carbodithioate?
The InChIKey is FIWDSNGRPBCMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS2/c1-10-6(9)7-4-2-3-5(7)8/h2-4H2,1H3.
What are the key properties of methyl 2-oxopyrrolidine-1-carbodithioate?
methyl 2-oxopyrrolidine-1-carbodithioate has a molecular weight of 175.28 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxopyrrolidine-1-carbodithioate is sourced from PubChem (CID 11105882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).