methyl hydrogen carbonate;triethyl(sulfamoyl)azanium

C8H21N2O5S+ — CID 87723486

IUPACmethyl hydrogen carbonate;triethyl(sulfamoyl)azanium
SMILESCC[N+](CC)(CC)S(N)(=O)=O.COC(=O)O
InChIInChI=1S/C6H17N2O2S.C2H4O3/c1-4-8(5-2,6-3)11(7,9)10;1-5-2(3)4/h4-6H2,1-3H3,(H2,7,9,10);1H3,(H,3,4)/q+1;
InChIKeyJMXUOGZJYACZPR-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.38
Rot. Bonds4

About methyl hydrogen carbonate;triethyl(sulfamoyl)azanium

methyl hydrogen carbonate;triethyl(sulfamoyl)azanium (PubChem CID 87723486) has the molecular formula C8H21N2O5S+ and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl hydrogen carbonate;triethyl(sulfamoyl)azanium.

Molecular Properties

Compound Namemethyl hydrogen carbonate;triethyl(sulfamoyl)azanium
PubChem CID87723486
Molecular FormulaC8H21N2O5S+
Molecular Weight257.33 g/mol
Exact Mass257.12
IUPAC Namemethyl hydrogen carbonate;triethyl(sulfamoyl)azanium
SMILESCC[N+](CC)(CC)S(N)(=O)=O.COC(=O)O
InChIInChI=1S/C6H17N2O2S.C2H4O3/c1-4-8(5-2,6-3)11(7,9)10;1-5-2(3)4/h4-6H2,1-3H3,(H2,7,9,10);1H3,(H,3,4)/q+1;
InChIKeyJMXUOGZJYACZPR-UHFFFAOYSA-N
XLogP0.38
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl hydrogen carbonate;triethyl(sulfamoyl)azanium 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

methyl hydrogen carbonate;sulfuric acid
CID 172863213
carbonic acid;methyl hydrogen carbonate
CID 175554276
ethoxycarbonylsulfamoyl(triethyl)azanium
CID 4666391
carbamoyloxysulfonyl(triethyl)azanium
CID 118981824
diethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium
CID 87544610
dichloromethane;methyl hydrogen carbonate
CID 160547489
methyl hydrogen carbonate;propan-2-one
CID 157174234
ethyl hydrogen carbonate;sulfane
CID 174718172
triethyl(sulfo)azanium
CID 54129973
dimethylsilane;methyl hydrogen carbonate
CID 175108197
methyl 2-ethylsulfonyl-3-methylbutanoate
CID 117037776
methyl 3-sulfamoylpropanoate
CID 16787339

Frequently Asked Questions

What is the IUPAC name of methyl hydrogen carbonate;triethyl(sulfamoyl)azanium?
The IUPAC name of methyl hydrogen carbonate;triethyl(sulfamoyl)azanium (CID 87723486) is methyl hydrogen carbonate;triethyl(sulfamoyl)azanium.
What is the SMILES notation for methyl hydrogen carbonate;triethyl(sulfamoyl)azanium?
The canonical SMILES for methyl hydrogen carbonate;triethyl(sulfamoyl)azanium is CC[N+](CC)(CC)S(N)(=O)=O.COC(=O)O.
What is the InChIKey of methyl hydrogen carbonate;triethyl(sulfamoyl)azanium?
The InChIKey is JMXUOGZJYACZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N2O2S.C2H4O3/c1-4-8(5-2,6-3)11(7,9)10;1-5-2(3)4/h4-6H2,1-3H3,(H2,7,9,10);1H3,(H,3,4)/q+1;.
What are the key properties of methyl hydrogen carbonate;triethyl(sulfamoyl)azanium?
methyl hydrogen carbonate;triethyl(sulfamoyl)azanium has a molecular weight of 257.33 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl hydrogen carbonate;triethyl(sulfamoyl)azanium is sourced from PubChem (CID 87723486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).