triethyl(2-methylsulfonylsulfanylethyl)azanium

C9H22NO2S2+ — CID 71752723

IUPACtriethyl(2-methylsulfonylsulfanylethyl)azanium
SMILESCC[N+](CC)(CC)CCSS(C)(=O)=O
InChIInChI=1S/C9H22NO2S2/c1-5-10(6-2,7-3)8-9-13-14(4,11)12/h5-9H2,1-4H3/q+1
InChIKeyJPTVEQAVQDYIAG-UHFFFAOYSA-N
MW240.41 g/mol
LogP1.56
Rot. Bonds7

About triethyl(2-methylsulfonylsulfanylethyl)azanium

triethyl(2-methylsulfonylsulfanylethyl)azanium (PubChem CID 71752723) has the molecular formula C9H22NO2S2+ and a molecular weight of 240.41 g/mol. Its IUPAC name is triethyl(2-methylsulfonylsulfanylethyl)azanium.

Molecular Properties

Compound Nametriethyl(2-methylsulfonylsulfanylethyl)azanium
PubChem CID71752723
Molecular FormulaC9H22NO2S2+
Molecular Weight240.41 g/mol
Exact Mass240.11
IUPAC Nametriethyl(2-methylsulfonylsulfanylethyl)azanium
SMILESCC[N+](CC)(CC)CCSS(C)(=O)=O
InChIInChI=1S/C9H22NO2S2/c1-5-10(6-2,7-3)8-9-13-14(4,11)12/h5-9H2,1-4H3/q+1
InChIKeyJPTVEQAVQDYIAG-UHFFFAOYSA-N
XLogP1.56
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5 dimethylethyl-(3-sulfopropyl)ammonium salt
CID 5221296
(2-(Trimethylammonium)ethyl)methanethiosulfonate
CID 107933
Trimethyl-(2-methylsulfonylsulfanylethyl)azanium bromide
CID 107934
[2-(Trimethylammonium)ethyl] Methanethiosulfonate Chloride
CID 71752821
N,N,N-Triethylethanaminium methanesulfonate
CID 19819108
Trimethyl(3-methylsulfonylsulfanylpropyl)azanium
CID 3290951
2-(Triethylammonio)ethane sulfonate
CID 4188134
Triethylammoniumpropane sulfonate
CID 118091857
N,N-diethylbutane-1-sulfonamide
CID 304056
3-(Triethylazaniumyl)propane-1-sulfonate
CID 3097580
Methyl 2-(diethylamino)ethane-1-sulfonate
CID 71361214
2-[Ethyl(dimethyl)azaniumyl]ethanesulfonate
CID 13351074

Frequently Asked Questions

What is the IUPAC name of triethyl(2-methylsulfonylsulfanylethyl)azanium?
The IUPAC name of triethyl(2-methylsulfonylsulfanylethyl)azanium (CID 71752723) is triethyl(2-methylsulfonylsulfanylethyl)azanium.
What is the SMILES notation for triethyl(2-methylsulfonylsulfanylethyl)azanium?
The canonical SMILES for triethyl(2-methylsulfonylsulfanylethyl)azanium is CC[N+](CC)(CC)CCSS(C)(=O)=O.
What is the InChIKey of triethyl(2-methylsulfonylsulfanylethyl)azanium?
The InChIKey is JPTVEQAVQDYIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO2S2/c1-5-10(6-2,7-3)8-9-13-14(4,11)12/h5-9H2,1-4H3/q+1.
What are the key properties of triethyl(2-methylsulfonylsulfanylethyl)azanium?
triethyl(2-methylsulfonylsulfanylethyl)azanium has a molecular weight of 240.41 g/mol, XLogP of 1.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(2-methylsulfonylsulfanylethyl)azanium is sourced from PubChem (CID 71752723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).