dimethyl-(2-sulfanylidenepyrrolidin-3-ylidene)azanium

C6H11N2S+ — CID 19100507

IUPACdimethyl-(2-sulfanylidenepyrrolidin-3-ylidene)azanium
SMILESC[N+](C)=C1CCNC1=S
InChIInChI=1S/C6H10N2S/c1-8(2)5-3-4-7-6(5)9/h3-4H2,1-2H3/p+1
InChIKeyPHJSSJYZTKNAHO-UHFFFAOYSA-O
MW143.23 g/mol
LogP0.02
Rot. Bonds

About dimethyl-(2-sulfanylidenepyrrolidin-3-ylidene)azanium

dimethyl-(2-sulfanylidenepyrrolidin-3-ylidene)azanium (PubChem CID 19100507) has the molecular formula C6H11N2S+ and a molecular weight of 143.23 g/mol. Its IUPAC name is dimethyl-(2-sulfanylidenepyrrolidin-3-ylidene)azanium.

Molecular Properties

Compound Namedimethyl-(2-sulfanylidenepyrrolidin-3-ylidene)azanium
PubChem CID19100507
Molecular FormulaC6H11N2S+
Molecular Weight143.23 g/mol
Exact Mass143.06
IUPAC Namedimethyl-(2-sulfanylidenepyrrolidin-3-ylidene)azanium
SMILESC[N+](C)=C1CCNC1=S
InChIInChI=1S/C6H10N2S/c1-8(2)5-3-4-7-6(5)9/h3-4H2,1-2H3/p+1
InChIKeyPHJSSJYZTKNAHO-UHFFFAOYSA-O
XLogP0.02
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze dimethyl-(2-sulfanylidenepyrrolidin-3-ylidene)azanium 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 dimethyl-(2-sulfanylidenepyrrolidin-3-ylidene)azanium?
The IUPAC name of dimethyl-(2-sulfanylidenepyrrolidin-3-ylidene)azanium (CID 19100507) is dimethyl-(2-sulfanylidenepyrrolidin-3-ylidene)azanium.
What is the SMILES notation for dimethyl-(2-sulfanylidenepyrrolidin-3-ylidene)azanium?
The canonical SMILES for dimethyl-(2-sulfanylidenepyrrolidin-3-ylidene)azanium is C[N+](C)=C1CCNC1=S.
What is the InChIKey of dimethyl-(2-sulfanylidenepyrrolidin-3-ylidene)azanium?
The InChIKey is PHJSSJYZTKNAHO-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H10N2S/c1-8(2)5-3-4-7-6(5)9/h3-4H2,1-2H3/p+1.
What are the key properties of dimethyl-(2-sulfanylidenepyrrolidin-3-ylidene)azanium?
dimethyl-(2-sulfanylidenepyrrolidin-3-ylidene)azanium has a molecular weight of 143.23 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-sulfanylidenepyrrolidin-3-ylidene)azanium is sourced from PubChem (CID 19100507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).