dimethylamino hydrogen sulfate

C2H7NO4S — CID 23081915

IUPACdimethylamino hydrogen sulfate
SMILESCN(C)OS(=O)(=O)O
InChIInChI=1S/C2H7NO4S/c1-3(2)7-8(4,5)6/h1-2H3,(H,4,5,6)
InChIKeyUPMXKGLJGJTVTG-UHFFFAOYSA-N
MW141.15 g/mol
LogP-0.72
Rot. Bonds2

About dimethylamino hydrogen sulfate

dimethylamino hydrogen sulfate (PubChem CID 23081915) has the molecular formula C2H7NO4S and a molecular weight of 141.15 g/mol. Its IUPAC name is dimethylamino hydrogen sulfate.

Molecular Properties

Compound Namedimethylamino hydrogen sulfate
PubChem CID23081915
Molecular FormulaC2H7NO4S
Molecular Weight141.15 g/mol
Exact Mass141.01
IUPAC Namedimethylamino hydrogen sulfate
SMILESCN(C)OS(=O)(=O)O
InChIInChI=1S/C2H7NO4S/c1-3(2)7-8(4,5)6/h1-2H3,(H,4,5,6)
InChIKeyUPMXKGLJGJTVTG-UHFFFAOYSA-N
XLogP-0.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethylamino hydrogen sulfate;trihydrofluoride
CID 172681475
dimethylamino propyl sulfate
CID 165093192
methyl hydrogen sulfate;hydrobromide
CID 87338714
copper;methyl hydrogen sulfate
CID 175275891
acetonitrile;bis(N,N-dimethylmethanamine);sulfo hydrogen sulfate
CID 174669975
[bis(2-methoxyethyl)amino] hydrogen sulfate;trihydrochloride
CID 173075807
azane;hydroxy hydrogen sulfate;2-methylprop-1-ene
CID 174737556
bis(N,N-dimethylmethanamine);dimethyl sulfate;sulfuric acid
CID 174527843
N,N-dimethylformamide;sulfoperoxy hydrogen sulfate
CID 22602657
2-(dimethylamino)ethyl hydrogen sulfate
CID 12574414
sulfooxy hydrogen sulfate
CID 24413
[ethyl(2,2,2-trifluoroethyl)amino] hydrogen sulfate
CID 131724719

Frequently Asked Questions

What is the IUPAC name of dimethylamino hydrogen sulfate?
The IUPAC name of dimethylamino hydrogen sulfate (CID 23081915) is dimethylamino hydrogen sulfate.
What is the SMILES notation for dimethylamino hydrogen sulfate?
The canonical SMILES for dimethylamino hydrogen sulfate is CN(C)OS(=O)(=O)O.
What is the InChIKey of dimethylamino hydrogen sulfate?
The InChIKey is UPMXKGLJGJTVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO4S/c1-3(2)7-8(4,5)6/h1-2H3,(H,4,5,6).
What are the key properties of dimethylamino hydrogen sulfate?
dimethylamino hydrogen sulfate has a molecular weight of 141.15 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino hydrogen sulfate is sourced from PubChem (CID 23081915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).