[bis(2-methoxyethyl)amino] hydrogen sulfate;trihydrochloride

C6H18Cl3NO6S — CID 173075807

IUPAC[bis(2-methoxyethyl)amino] hydrogen sulfate;trihydrochloride
SMILESCOCCN(CCOC)OS(=O)(=O)O.Cl.Cl.Cl
InChIInChI=1S/C6H15NO6S.3ClH/c1-11-5-3-7(4-6-12-2)13-14(8,9)10;;;/h3-6H2,1-2H3,(H,8,9,10);3*1H
InChIKeyHXAZPWQOEIGEPW-UHFFFAOYSA-N
MW338.64 g/mol
LogP0.58
Rot. Bonds8

About [bis(2-methoxyethyl)amino] hydrogen sulfate;trihydrochloride

[bis(2-methoxyethyl)amino] hydrogen sulfate;trihydrochloride (PubChem CID 173075807) has the molecular formula C6H18Cl3NO6S and a molecular weight of 338.64 g/mol. Its IUPAC name is [bis(2-methoxyethyl)amino] hydrogen sulfate;trihydrochloride.

Molecular Properties

Compound Name[bis(2-methoxyethyl)amino] hydrogen sulfate;trihydrochloride
PubChem CID173075807
Molecular FormulaC6H18Cl3NO6S
Molecular Weight338.64 g/mol
Exact Mass336.99
IUPAC Name[bis(2-methoxyethyl)amino] hydrogen sulfate;trihydrochloride
SMILESCOCCN(CCOC)OS(=O)(=O)O.Cl.Cl.Cl
InChIInChI=1S/C6H15NO6S.3ClH/c1-11-5-3-7(4-6-12-2)13-14(8,9)10;;;/h3-6H2,1-2H3,(H,8,9,10);3*1H
InChIKeyHXAZPWQOEIGEPW-UHFFFAOYSA-N
XLogP0.58
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.64
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [bis(2-methoxyethyl)amino] hydrogen sulfate;trihydrochloride 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

2-methoxyethyl(sulfo)sulfamic acid
CID 15889416
methanesulfonic acid;2-methoxy-N,N-dimethylethanamine
CID 174574685
N-(2-methoxyethyl)-N-(3-methoxypropyl)ethanesulfonamide
CID 64585942
dimethylamino hydrogen sulfate
CID 23081915
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 21045107
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 21045111
2-[2-(2-methoxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 59816255
N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide
CID 60773925
ethane;2-[2-[2-methoxyethyl(2-sulfoethyl)amino]ethyl-methylamino]ethanesulfonic acid
CID 145098247
dimethylamino hydrogen sulfate;trihydrofluoride
CID 172681475
methyl N-(2-methoxyethyl)-N-sulfamoylcarbamate
CID 88598116
1-chloro-N-(2-methoxyethyl)-N-methylmethanesulfonamide
CID 63665176

Frequently Asked Questions

What is the IUPAC name of [bis(2-methoxyethyl)amino] hydrogen sulfate;trihydrochloride?
The IUPAC name of [bis(2-methoxyethyl)amino] hydrogen sulfate;trihydrochloride (CID 173075807) is [bis(2-methoxyethyl)amino] hydrogen sulfate;trihydrochloride.
What is the SMILES notation for [bis(2-methoxyethyl)amino] hydrogen sulfate;trihydrochloride?
The canonical SMILES for [bis(2-methoxyethyl)amino] hydrogen sulfate;trihydrochloride is COCCN(CCOC)OS(=O)(=O)O.Cl.Cl.Cl.
What is the InChIKey of [bis(2-methoxyethyl)amino] hydrogen sulfate;trihydrochloride?
The InChIKey is HXAZPWQOEIGEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO6S.3ClH/c1-11-5-3-7(4-6-12-2)13-14(8,9)10;;;/h3-6H2,1-2H3,(H,8,9,10);3*1H.
What are the key properties of [bis(2-methoxyethyl)amino] hydrogen sulfate;trihydrochloride?
[bis(2-methoxyethyl)amino] hydrogen sulfate;trihydrochloride has a molecular weight of 338.64 g/mol, XLogP of 0.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(2-methoxyethyl)amino] hydrogen sulfate;trihydrochloride is sourced from PubChem (CID 173075807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).