diethyl(methyl)azanium;methanesulfonate

C6H17NO3S — CID 90308675

IUPACdiethyl(methyl)azanium;methanesulfonate
SMILESCC[NH+](C)CC.CS(=O)(=O)[O-]
InChIInChI=1S/C5H13N.CH4O3S/c1-4-6(3)5-2;1-5(2,3)4/h4-5H2,1-3H3;1H3,(H,2,3,4)
InChIKeyYHOXRVURMRBHDX-UHFFFAOYSA-N
MW183.27 g/mol
LogP-1.30
Rot. Bonds2

About diethyl(methyl)azanium;methanesulfonate

diethyl(methyl)azanium;methanesulfonate (PubChem CID 90308675) has the molecular formula C6H17NO3S and a molecular weight of 183.27 g/mol. Its IUPAC name is diethyl(methyl)azanium;methanesulfonate.

Molecular Properties

Compound Namediethyl(methyl)azanium;methanesulfonate
PubChem CID90308675
Molecular FormulaC6H17NO3S
Molecular Weight183.27 g/mol
Exact Mass183.09
IUPAC Namediethyl(methyl)azanium;methanesulfonate
SMILESCC[NH+](C)CC.CS(=O)(=O)[O-]
InChIInChI=1S/C5H13N.CH4O3S/c1-4-6(3)5-2;1-5(2,3)4/h4-5H2,1-3H3;1H3,(H,2,3,4)
InChIKeyYHOXRVURMRBHDX-UHFFFAOYSA-N
XLogP-1.30
TPSA61.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze diethyl(methyl)azanium;methanesulfonate 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 diethyl(methyl)azanium;methanesulfonate?
The IUPAC name of diethyl(methyl)azanium;methanesulfonate (CID 90308675) is diethyl(methyl)azanium;methanesulfonate.
What is the SMILES notation for diethyl(methyl)azanium;methanesulfonate?
The canonical SMILES for diethyl(methyl)azanium;methanesulfonate is CC[NH+](C)CC.CS(=O)(=O)[O-].
What is the InChIKey of diethyl(methyl)azanium;methanesulfonate?
The InChIKey is YHOXRVURMRBHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.CH4O3S/c1-4-6(3)5-2;1-5(2,3)4/h4-5H2,1-3H3;1H3,(H,2,3,4).
What are the key properties of diethyl(methyl)azanium;methanesulfonate?
diethyl(methyl)azanium;methanesulfonate has a molecular weight of 183.27 g/mol, XLogP of -1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(methyl)azanium;methanesulfonate is sourced from PubChem (CID 90308675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).