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

C10H26N2O2S+2 — CID 24833663

IUPACtrimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium
SMILESC[N+](C)(C)CCS(=O)(=O)CC[N+](C)(C)C
InChIInChI=1S/C10H26N2O2S/c1-11(2,3)7-9-15(13,14)10-8-12(4,5)6/h7-10H2,1-6H3/q+2
InChIKeyJGLVJCCVIMFUKW-UHFFFAOYSA-N
MW238.40 g/mol
LogP-0.19
Rot. Bonds6

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

trimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium (PubChem CID 24833663) has the molecular formula C10H26N2O2S+2 and a molecular weight of 238.40 g/mol. Its IUPAC name is trimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium
PubChem CID24833663
Molecular FormulaC10H26N2O2S+2
Molecular Weight238.40 g/mol
Exact Mass238.17
IUPAC Nametrimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium
SMILESC[N+](C)(C)CCS(=O)(=O)CC[N+](C)(C)C
InChIInChI=1S/C10H26N2O2S/c1-11(2,3)7-9-15(13,14)10-8-12(4,5)6/h7-10H2,1-6H3/q+2
InChIKeyJGLVJCCVIMFUKW-UHFFFAOYSA-N
XLogP-0.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]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 trimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium?
The IUPAC name of trimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium (CID 24833663) is trimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium.
What is the SMILES notation for trimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium?
The canonical SMILES for trimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium is C[N+](C)(C)CCS(=O)(=O)CC[N+](C)(C)C.
What is the InChIKey of trimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium?
The InChIKey is JGLVJCCVIMFUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N2O2S/c1-11(2,3)7-9-15(13,14)10-8-12(4,5)6/h7-10H2,1-6H3/q+2.
What are the key properties of trimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium?
trimethyl-[2-[2-(trimethylazaniumyl)ethylsulfonyl]ethyl]azanium has a molecular weight of 238.40 g/mol, XLogP of -0.19, 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 is sourced from PubChem (CID 24833663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).