triethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]azanium

C23H51N2O2S+ — CID 73352537

IUPACtriethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]azanium
SMILESCCCCCCCCCCCCCCS(=O)(=O)N(C)CC[N+](CC)(CC)CC
InChIInChI=1S/C23H51N2O2S/c1-6-10-11-12-13-14-15-16-17-18-19-20-23-28(26,27)24(5)21-22-25(7-2,8-3)9-4/h6-23H2,1-5H3/q+1
InChIKeyNGTRHCRWOBRYMC-UHFFFAOYSA-N
MW419.74 g/mol
LogP5.83
Rot. Bonds20

About triethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]azanium

triethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]azanium (PubChem CID 73352537) has the molecular formula C23H51N2O2S+ and a molecular weight of 419.74 g/mol. Its IUPAC name is triethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]azanium.

Molecular Properties

Compound Nametriethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]azanium
PubChem CID73352537
Molecular FormulaC23H51N2O2S+
Molecular Weight419.74 g/mol
Exact Mass419.37
IUPAC Nametriethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]azanium
SMILESCCCCCCCCCCCCCCS(=O)(=O)N(C)CC[N+](CC)(CC)CC
InChIInChI=1S/C23H51N2O2S/c1-6-10-11-12-13-14-15-16-17-18-19-20-23-28(26,27)24(5)21-22-25(7-2,8-3)9-4/h6-23H2,1-5H3/q+1
InChIKeyNGTRHCRWOBRYMC-UHFFFAOYSA-N
XLogP5.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.74
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-methylheptane-1-sulfonamide
CID 131966885
N,N-dimethylheptane-1-sulfonamide
CID 118391256
N-butylsulfonyl-N-methylhexane-1-sulfonamide
CID 167138373
bis(triethyl(hexadecyl)azanium);sulfate
CID 139922163
N,N-dioctyldodecane-1-sulfonamide
CID 15510197
tetraethylazanium;undecane-1-sulfonic acid
CID 174871658
dodecane-1-sulfonate;tetraethylazanium
CID 88607705
dodecyl-diethyl-(4-sulfobutyl)azanium
CID 57238263
triethyl(tetradecyl)azanium
CID 28911
N-ethyl-N-octyloctane-1-sulfonamide
CID 176689597
N-methyl-N-propylpropane-1-sulfonamide
CID 59491856
N,N-diaminopentane-1-sulfonamide
CID 88729680

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]azanium?
The IUPAC name of triethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]azanium (CID 73352537) is triethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]azanium.
What is the SMILES notation for triethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]azanium?
The canonical SMILES for triethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]azanium is CCCCCCCCCCCCCCS(=O)(=O)N(C)CC[N+](CC)(CC)CC.
What is the InChIKey of triethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]azanium?
The InChIKey is NGTRHCRWOBRYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H51N2O2S/c1-6-10-11-12-13-14-15-16-17-18-19-20-23-28(26,27)24(5)21-22-25(7-2,8-3)9-4/h6-23H2,1-5H3/q+1.
What are the key properties of triethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]azanium?
triethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]azanium has a molecular weight of 419.74 g/mol, XLogP of 5.83, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]azanium is sourced from PubChem (CID 73352537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).