trimethyl-[2-(2-methylbutan-2-ylsulfanylcarbonyloxy)ethyl]azanium

C11H24NO2S+ — CID 10539946

IUPACtrimethyl-[2-(2-methylbutan-2-ylsulfanylcarbonyloxy)ethyl]azanium
SMILESCCC(C)(C)SC(=O)OCC[N+](C)(C)C
InChIInChI=1S/C11H24NO2S/c1-7-11(2,3)15-10(13)14-9-8-12(4,5)6/h7-9H2,1-6H3/q+1
InChIKeyNWWRUCBZOXVDBP-UHFFFAOYSA-N
MW234.38 g/mol
LogP2.75
Rot. Bonds5

About trimethyl-[2-(2-methylbutan-2-ylsulfanylcarbonyloxy)ethyl]azanium

trimethyl-[2-(2-methylbutan-2-ylsulfanylcarbonyloxy)ethyl]azanium (PubChem CID 10539946) has the molecular formula C11H24NO2S+ and a molecular weight of 234.38 g/mol. Its IUPAC name is trimethyl-[2-(2-methylbutan-2-ylsulfanylcarbonyloxy)ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-(2-methylbutan-2-ylsulfanylcarbonyloxy)ethyl]azanium
PubChem CID10539946
Molecular FormulaC11H24NO2S+
Molecular Weight234.38 g/mol
Exact Mass234.15
IUPAC Nametrimethyl-[2-(2-methylbutan-2-ylsulfanylcarbonyloxy)ethyl]azanium
SMILESCCC(C)(C)SC(=O)OCC[N+](C)(C)C
InChIInChI=1S/C11H24NO2S/c1-7-11(2,3)15-10(13)14-9-8-12(4,5)6/h7-9H2,1-6H3/q+1
InChIKeyNWWRUCBZOXVDBP-UHFFFAOYSA-N
XLogP2.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trimethyl-[2-(2-methylbutan-2-ylsulfanylcarbonyloxy)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

Related Compounds

trimethyl-[2-(2,3,3-trimethylbutanoyloxy)ethyl]azanium
CID 20759371
barium(2+);2-carbamoyloxyethyl(trimethyl)azanium
CID 88516621
2-acetyloxyethyl(trimethyl)azanium bromide
CID 547020
2-acetyloxyethyl(trimethyl)azanium;phosphane
CID 172811747
CID 158732412
CID 158732412
calcium;2-acetyloxyethyl(trimethyl)azanium;hydride
CID 174840890
2-(2,2-dimethylbutanoyloxy)ethyl-trimethylazanium;methylsulfonyl(trifluoromethylsulfonyl)azanide
CID 158744516
2-(3-carboxy-2,3-dihydroxypropanoyl)oxyethyl-trimethylazanium
CID 175886232
trimethyl-[2-(2-methylpropanoyloxy)ethyl]azanium chloride
CID 139213202
azane;2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride
CID 174427776
2-(2-ethylbut-2-enoyloxy)ethyl-trimethylazanium
CID 523165
trimethyl(2-tetradecoxycarbonyloxyethyl)azanium
CID 86345276

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(2-methylbutan-2-ylsulfanylcarbonyloxy)ethyl]azanium?
The IUPAC name of trimethyl-[2-(2-methylbutan-2-ylsulfanylcarbonyloxy)ethyl]azanium (CID 10539946) is trimethyl-[2-(2-methylbutan-2-ylsulfanylcarbonyloxy)ethyl]azanium.
What is the SMILES notation for trimethyl-[2-(2-methylbutan-2-ylsulfanylcarbonyloxy)ethyl]azanium?
The canonical SMILES for trimethyl-[2-(2-methylbutan-2-ylsulfanylcarbonyloxy)ethyl]azanium is CCC(C)(C)SC(=O)OCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[2-(2-methylbutan-2-ylsulfanylcarbonyloxy)ethyl]azanium?
The InChIKey is NWWRUCBZOXVDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO2S/c1-7-11(2,3)15-10(13)14-9-8-12(4,5)6/h7-9H2,1-6H3/q+1.
What are the key properties of trimethyl-[2-(2-methylbutan-2-ylsulfanylcarbonyloxy)ethyl]azanium?
trimethyl-[2-(2-methylbutan-2-ylsulfanylcarbonyloxy)ethyl]azanium has a molecular weight of 234.38 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(2-methylbutan-2-ylsulfanylcarbonyloxy)ethyl]azanium is sourced from PubChem (CID 10539946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).