1-ethyl-3-methyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine

C10H17NS2 — CID 20723074

IUPAC1-ethyl-3-methyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine
SMILESC=C1CC(C)(SSC)C(=C)N1CC
InChIInChI=1S/C10H17NS2/c1-6-11-8(2)7-10(4,9(11)3)13-12-5/h2-3,6-7H2,1,4-5H3
InChIKeyUBSVHBOPVZIYDV-UHFFFAOYSA-N
MW215.39 g/mol
LogP3.51
Rot. Bonds3

About 1-ethyl-3-methyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine

1-ethyl-3-methyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine (PubChem CID 20723074) has the molecular formula C10H17NS2 and a molecular weight of 215.39 g/mol. Its IUPAC name is 1-ethyl-3-methyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine.

Molecular Properties

Compound Name1-ethyl-3-methyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine
PubChem CID20723074
Molecular FormulaC10H17NS2
Molecular Weight215.39 g/mol
Exact Mass215.08
IUPAC Name1-ethyl-3-methyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine
SMILESC=C1CC(C)(SSC)C(=C)N1CC
InChIInChI=1S/C10H17NS2/c1-6-11-8(2)7-10(4,9(11)3)13-12-5/h2-3,6-7H2,1,4-5H3
InChIKeyUBSVHBOPVZIYDV-UHFFFAOYSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-methyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine 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 1-ethyl-3-methyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine?
The IUPAC name of 1-ethyl-3-methyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine (CID 20723074) is 1-ethyl-3-methyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine.
What is the SMILES notation for 1-ethyl-3-methyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine?
The canonical SMILES for 1-ethyl-3-methyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine is C=C1CC(C)(SSC)C(=C)N1CC.
What is the InChIKey of 1-ethyl-3-methyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine?
The InChIKey is UBSVHBOPVZIYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS2/c1-6-11-8(2)7-10(4,9(11)3)13-12-5/h2-3,6-7H2,1,4-5H3.
What are the key properties of 1-ethyl-3-methyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine?
1-ethyl-3-methyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine has a molecular weight of 215.39 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine is sourced from PubChem (CID 20723074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).