ethyl-dimethyl-(3-sulfopropyl)azanium hydroxide

C7H19NO4S — CID 22486480

IUPACethyl-dimethyl-(3-sulfopropyl)azanium hydroxide
SMILESCC[N+](C)(C)CCCS(=O)(=O)O.[OH-]
InChIInChI=1S/C7H17NO3S.H2O/c1-4-8(2,3)6-5-7-12(9,10)11;/h4-7H2,1-3H3;1H2
InChIKeyIYPUOJSFBURJQA-UHFFFAOYSA-N
MW213.30 g/mol
LogP0.18
Rot. Bonds5

About ethyl-dimethyl-(3-sulfopropyl)azanium hydroxide

ethyl-dimethyl-(3-sulfopropyl)azanium hydroxide (PubChem CID 22486480) has the molecular formula C7H19NO4S and a molecular weight of 213.30 g/mol. Its IUPAC name is ethyl-dimethyl-(3-sulfopropyl)azanium hydroxide.

Molecular Properties

Compound Nameethyl-dimethyl-(3-sulfopropyl)azanium hydroxide
PubChem CID22486480
Molecular FormulaC7H19NO4S
Molecular Weight213.30 g/mol
Exact Mass213.10
IUPAC Nameethyl-dimethyl-(3-sulfopropyl)azanium hydroxide
SMILESCC[N+](C)(C)CCCS(=O)(=O)O.[OH-]
InChIInChI=1S/C7H17NO3S.H2O/c1-4-8(2,3)6-5-7-12(9,10)11;/h4-7H2,1-3H3;1H2
InChIKeyIYPUOJSFBURJQA-UHFFFAOYSA-N
XLogP0.18
TPSA84.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze ethyl-dimethyl-(3-sulfopropyl)azanium hydroxide 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

12-[dimethyl(3-sulfopropyl)azaniumyl]dodecyl-dodecyl-dimethylazanium
CID 15497410
8-[dimethyl(3-sulfopropyl)azaniumyl]octyl-dodecyl-dimethylazanium
CID 11753426
butyl-[2-[2-[dimethyl(3-sulfopropyl)azaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium
CID 88530452
12-[dimethyl(4-sulfobutyl)azaniumyl]dodecyl-dimethyl-(4-sulfobutyl)azanium
CID 10649858
ethyl-dimethyl-octadecylazanium;sulfuric acid
CID 90169369
dimethyl-(3-sulfopropyl)-(3-trimethylsilylpropyl)azanium
CID 160815943
(4-amino-4-oxobutyl)-dimethyl-(3-sulfopropyl)azanium
CID 122550419
dodecyl-ethyl-dimethylazanium;methanesulfonic acid
CID 87724332
dimethyl-prop-2-ynyl-(3-sulfopropyl)azanium iodide
CID 146629341
butane-1-sulfonic acid;sulfane
CID 174687882
2-acetyloxyethyl-dimethyl-(3-sulfopropyl)azanium
CID 58841216
3-dihydroxysilyloxypropyl-dimethyl-(3-sulfopropyl)azanium
CID 123400119

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-(3-sulfopropyl)azanium hydroxide?
The IUPAC name of ethyl-dimethyl-(3-sulfopropyl)azanium hydroxide (CID 22486480) is ethyl-dimethyl-(3-sulfopropyl)azanium hydroxide.
What is the SMILES notation for ethyl-dimethyl-(3-sulfopropyl)azanium hydroxide?
The canonical SMILES for ethyl-dimethyl-(3-sulfopropyl)azanium hydroxide is CC[N+](C)(C)CCCS(=O)(=O)O.[OH-].
What is the InChIKey of ethyl-dimethyl-(3-sulfopropyl)azanium hydroxide?
The InChIKey is IYPUOJSFBURJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S.H2O/c1-4-8(2,3)6-5-7-12(9,10)11;/h4-7H2,1-3H3;1H2.
What are the key properties of ethyl-dimethyl-(3-sulfopropyl)azanium hydroxide?
ethyl-dimethyl-(3-sulfopropyl)azanium hydroxide has a molecular weight of 213.30 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-(3-sulfopropyl)azanium hydroxide is sourced from PubChem (CID 22486480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).