trimethyl(2-methylsulfanylethyl)azanium iodide

C6H16INS — CID 13028498

IUPACtrimethyl(2-methylsulfanylethyl)azanium iodide
SMILESCSCC[N+](C)(C)C.[I-]
InChIInChI=1S/C6H16NS.HI/c1-7(2,3)5-6-8-4;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKeyNBVNNVNFGUFZMN-UHFFFAOYSA-M
MW261.17 g/mol
LogP-1.94
Rot. Bonds3

About trimethyl(2-methylsulfanylethyl)azanium iodide

trimethyl(2-methylsulfanylethyl)azanium iodide (PubChem CID 13028498) has the molecular formula C6H16INS and a molecular weight of 261.17 g/mol. Its IUPAC name is trimethyl(2-methylsulfanylethyl)azanium iodide.

Molecular Properties

Compound Nametrimethyl(2-methylsulfanylethyl)azanium iodide
PubChem CID13028498
Molecular FormulaC6H16INS
Molecular Weight261.17 g/mol
Exact Mass261.00
IUPAC Nametrimethyl(2-methylsulfanylethyl)azanium iodide
SMILESCSCC[N+](C)(C)C.[I-]
InChIInChI=1S/C6H16NS.HI/c1-7(2,3)5-6-8-4;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKeyNBVNNVNFGUFZMN-UHFFFAOYSA-M
XLogP-1.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 5-1.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze trimethyl(2-methylsulfanylethyl)azanium iodide 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 trimethyl(2-methylsulfanylethyl)azanium iodide?
The IUPAC name of trimethyl(2-methylsulfanylethyl)azanium iodide (CID 13028498) is trimethyl(2-methylsulfanylethyl)azanium iodide.
What is the SMILES notation for trimethyl(2-methylsulfanylethyl)azanium iodide?
The canonical SMILES for trimethyl(2-methylsulfanylethyl)azanium iodide is CSCC[N+](C)(C)C.[I-].
What is the InChIKey of trimethyl(2-methylsulfanylethyl)azanium iodide?
The InChIKey is NBVNNVNFGUFZMN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16NS.HI/c1-7(2,3)5-6-8-4;/h5-6H2,1-4H3;1H/q+1;/p-1.
What are the key properties of trimethyl(2-methylsulfanylethyl)azanium iodide?
trimethyl(2-methylsulfanylethyl)azanium iodide has a molecular weight of 261.17 g/mol, XLogP of -1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-methylsulfanylethyl)azanium iodide is sourced from PubChem (CID 13028498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).