1,3-dimethyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine

C9H15NS2 — CID 59916938

IUPAC1,3-dimethyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine
SMILESC=C1CC(C)(SSC)C(=C)N1C
InChIInChI=1S/C9H15NS2/c1-7-6-9(3,12-11-5)8(2)10(7)4/h1-2,6H2,3-5H3
InChIKeyMRUCCQDNSKSHIG-UHFFFAOYSA-N
MW201.36 g/mol
LogP3.12
Rot. Bonds2

About 1,3-dimethyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine

1,3-dimethyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine (PubChem CID 59916938) has the molecular formula C9H15NS2 and a molecular weight of 201.36 g/mol. Its IUPAC name is 1,3-dimethyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine.

Molecular Properties

Compound Name1,3-dimethyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine
PubChem CID59916938
Molecular FormulaC9H15NS2
Molecular Weight201.36 g/mol
Exact Mass201.06
IUPAC Name1,3-dimethyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine
SMILESC=C1CC(C)(SSC)C(=C)N1C
InChIInChI=1S/C9H15NS2/c1-7-6-9(3,12-11-5)8(2)10(7)4/h1-2,6H2,3-5H3
InChIKeyMRUCCQDNSKSHIG-UHFFFAOYSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine?
The IUPAC name of 1,3-dimethyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine (CID 59916938) is 1,3-dimethyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine.
What is the SMILES notation for 1,3-dimethyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine?
The canonical SMILES for 1,3-dimethyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine is C=C1CC(C)(SSC)C(=C)N1C.
What is the InChIKey of 1,3-dimethyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine?
The InChIKey is MRUCCQDNSKSHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS2/c1-7-6-9(3,12-11-5)8(2)10(7)4/h1-2,6H2,3-5H3.
What are the key properties of 1,3-dimethyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine?
1,3-dimethyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine has a molecular weight of 201.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine is sourced from PubChem (CID 59916938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).