trimethyl(2-methylsulfonylethyl)azanium

C6H16NO2S+ — CID 59142053

IUPACtrimethyl(2-methylsulfonylethyl)azanium
SMILESC[N+](C)(C)CCS(C)(=O)=O
InChIInChI=1S/C6H16NO2S/c1-7(2,3)5-6-10(4,8)9/h5-6H2,1-4H3/q+1
InChIKeyMJTGXYJMJNBQMV-UHFFFAOYSA-N
MW166.27 g/mol
LogP-0.26
Rot. Bonds3

About trimethyl(2-methylsulfonylethyl)azanium

trimethyl(2-methylsulfonylethyl)azanium (PubChem CID 59142053) has the molecular formula C6H16NO2S+ and a molecular weight of 166.27 g/mol. Its IUPAC name is trimethyl(2-methylsulfonylethyl)azanium.

Molecular Properties

Compound Nametrimethyl(2-methylsulfonylethyl)azanium
PubChem CID59142053
Molecular FormulaC6H16NO2S+
Molecular Weight166.27 g/mol
Exact Mass166.09
IUPAC Nametrimethyl(2-methylsulfonylethyl)azanium
SMILESC[N+](C)(C)CCS(C)(=O)=O
InChIInChI=1S/C6H16NO2S/c1-7(2,3)5-6-10(4,8)9/h5-6H2,1-4H3/q+1
InChIKeyMJTGXYJMJNBQMV-UHFFFAOYSA-N
XLogP-0.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5 dimethylethyl-(3-sulfopropyl)ammonium salt
CID 5221296
Trimethyl-(2-methylsulfonylsulfanylethyl)azanium bromide
CID 107934
N,N-dimethyl-2-methylsulphonylethylamine
CID 2817340
Hydron;2-(trimethylazaniumyl)ethanesulfonate
CID 100921432
2-(Trimethylazaniumyl)ethanesulfonate
CID 3663626
2-(Triethylammonio)ethane sulfonate
CID 4188134
2-(Ethenesulfonyl)-N,N-dimethylethan-1-amine
CID 305589
2-(Dimethylamino)ethanesulfonyl chloride
CID 14219657
Fluoro 2-(dimethylamino)ethanesulfonate
CID 145825600
N-(2-{[2-(dimethylamino)ethyl]sulfonyl}ethyl)-N,N-dimethylamine
CID 282268
4-(Trimethylammonio)butane-1-sulfonate
CID 58196109
Methyl 2-(diethylamino)ethane-1-sulfonate
CID 71361214

Frequently Asked Questions

What is the IUPAC name of trimethyl(2-methylsulfonylethyl)azanium?
The IUPAC name of trimethyl(2-methylsulfonylethyl)azanium (CID 59142053) is trimethyl(2-methylsulfonylethyl)azanium.
What is the SMILES notation for trimethyl(2-methylsulfonylethyl)azanium?
The canonical SMILES for trimethyl(2-methylsulfonylethyl)azanium is C[N+](C)(C)CCS(C)(=O)=O.
What is the InChIKey of trimethyl(2-methylsulfonylethyl)azanium?
The InChIKey is MJTGXYJMJNBQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO2S/c1-7(2,3)5-6-10(4,8)9/h5-6H2,1-4H3/q+1.
What are the key properties of trimethyl(2-methylsulfonylethyl)azanium?
trimethyl(2-methylsulfonylethyl)azanium has a molecular weight of 166.27 g/mol, XLogP of -0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-methylsulfonylethyl)azanium is sourced from PubChem (CID 59142053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).