sodium;hydrogen sulfate;2-methylpropan-2-amine

C4H12NNaO4S — CID 173341789

IUPACsodium;hydrogen sulfate;2-methylpropan-2-amine
SMILESCC(C)(C)N.O=S(=O)([O-])O.[Na+]
InChIInChI=1S/C4H11N.Na.H2O4S/c1-4(2,3)5;;1-5(2,3)4/h5H2,1-3H3;;(H2,1,2,3,4)/q;+1;/p-1
InChIKeyXZQXWSPXVOEAQX-UHFFFAOYSA-M
MW193.20 g/mol
LogP-3.25
Rot. Bonds

About sodium;hydrogen sulfate;2-methylpropan-2-amine

sodium;hydrogen sulfate;2-methylpropan-2-amine (PubChem CID 173341789) has the molecular formula C4H12NNaO4S and a molecular weight of 193.20 g/mol. Its IUPAC name is sodium;hydrogen sulfate;2-methylpropan-2-amine.

Molecular Properties

Compound Namesodium;hydrogen sulfate;2-methylpropan-2-amine
PubChem CID173341789
Molecular FormulaC4H12NNaO4S
Molecular Weight193.20 g/mol
Exact Mass193.04
IUPAC Namesodium;hydrogen sulfate;2-methylpropan-2-amine
SMILESCC(C)(C)N.O=S(=O)([O-])O.[Na+]
InChIInChI=1S/C4H11N.Na.H2O4S/c1-4(2,3)5;;1-5(2,3)4/h5H2,1-3H3;;(H2,1,2,3,4)/q;+1;/p-1
InChIKeyXZQXWSPXVOEAQX-UHFFFAOYSA-M
XLogP-3.25
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-3.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;hydrogen sulfate;2-methylpropan-2-amine?
The IUPAC name of sodium;hydrogen sulfate;2-methylpropan-2-amine (CID 173341789) is sodium;hydrogen sulfate;2-methylpropan-2-amine.
What is the SMILES notation for sodium;hydrogen sulfate;2-methylpropan-2-amine?
The canonical SMILES for sodium;hydrogen sulfate;2-methylpropan-2-amine is CC(C)(C)N.O=S(=O)([O-])O.[Na+].
What is the InChIKey of sodium;hydrogen sulfate;2-methylpropan-2-amine?
The InChIKey is XZQXWSPXVOEAQX-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11N.Na.H2O4S/c1-4(2,3)5;;1-5(2,3)4/h5H2,1-3H3;;(H2,1,2,3,4)/q;+1;/p-1.
What are the key properties of sodium;hydrogen sulfate;2-methylpropan-2-amine?
sodium;hydrogen sulfate;2-methylpropan-2-amine has a molecular weight of 193.20 g/mol, XLogP of -3.25, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydrogen sulfate;2-methylpropan-2-amine is sourced from PubChem (CID 173341789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).