trimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium diiodide

C10H26I2N2O2S — CID 24833662

IUPACtrimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium diiodide
SMILESC[N+](C)(C)CCS(=O)(=O)CC[N+](C)(C)C.[I-].[I-]
InChIInChI=1S/C10H26N2O2S.2HI/c1-11(2,3)7-9-15(13,14)10-8-12(4,5)6;;/h7-10H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyXULBXDGNPQKIDD-UHFFFAOYSA-L
MW492.21 g/mol
LogP-6.18
Rot. Bonds6

About trimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium diiodide

trimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium diiodide (PubChem CID 24833662) has the molecular formula C10H26I2N2O2S and a molecular weight of 492.21 g/mol. Its IUPAC name is trimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium diiodide.

Molecular Properties

Compound Nametrimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium diiodide
PubChem CID24833662
Molecular FormulaC10H26I2N2O2S
Molecular Weight492.21 g/mol
Exact Mass491.98
IUPAC Nametrimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium diiodide
SMILESC[N+](C)(C)CCS(=O)(=O)CC[N+](C)(C)C.[I-].[I-]
InChIInChI=1S/C10H26N2O2S.2HI/c1-11(2,3)7-9-15(13,14)10-8-12(4,5)6;;/h7-10H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyXULBXDGNPQKIDD-UHFFFAOYSA-L
XLogP-6.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.21
LogP ≤ 5-6.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium diiodide 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-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium diiodide?
The IUPAC name of trimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium diiodide (CID 24833662) is trimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium diiodide.
What is the SMILES notation for trimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium diiodide?
The canonical SMILES for trimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium diiodide is C[N+](C)(C)CCS(=O)(=O)CC[N+](C)(C)C.[I-].[I-].
What is the InChIKey of trimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium diiodide?
The InChIKey is XULBXDGNPQKIDD-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H26N2O2S.2HI/c1-11(2,3)7-9-15(13,14)10-8-12(4,5)6;;/h7-10H2,1-6H3;2*1H/q+2;;/p-2.
What are the key properties of trimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium diiodide?
trimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium diiodide has a molecular weight of 492.21 g/mol, XLogP of -6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium diiodide is sourced from PubChem (CID 24833662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).