2-[2-hydroxyethyl(methyl)amino]ethyl sulfate

C5H12NO5S- — CID 59107411

IUPAC2-[2-hydroxyethyl(methyl)amino]ethyl sulfate
SMILESCN(CCO)CCOS(=O)(=O)[O-]
InChIInChI=1S/C5H13NO5S/c1-6(2-4-7)3-5-11-12(8,9)10/h7H,2-5H2,1H3,(H,8,9,10)/p-1
InChIKeyRJEBFNUABXVWNZ-UHFFFAOYSA-M
MW198.22 g/mol
LogP-1.61
Rot. Bonds6

About 2-[2-hydroxyethyl(methyl)amino]ethyl sulfate

2-[2-hydroxyethyl(methyl)amino]ethyl sulfate (PubChem CID 59107411) has the molecular formula C5H12NO5S- and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]ethyl sulfate.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]ethyl sulfate
PubChem CID59107411
Molecular FormulaC5H12NO5S-
Molecular Weight198.22 g/mol
Exact Mass198.04
IUPAC Name2-[2-hydroxyethyl(methyl)amino]ethyl sulfate
SMILESCN(CCO)CCOS(=O)(=O)[O-]
InChIInChI=1S/C5H13NO5S/c1-6(2-4-7)3-5-11-12(8,9)10/h7H,2-5H2,1H3,(H,8,9,10)/p-1
InChIKeyRJEBFNUABXVWNZ-UHFFFAOYSA-M
XLogP-1.61
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-1.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-[2-hydroxyethyl(methyl)amino]ethyl sulfate?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]ethyl sulfate (CID 59107411) is 2-[2-hydroxyethyl(methyl)amino]ethyl sulfate.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]ethyl sulfate?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]ethyl sulfate is CN(CCO)CCOS(=O)(=O)[O-].
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]ethyl sulfate?
The InChIKey is RJEBFNUABXVWNZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13NO5S/c1-6(2-4-7)3-5-11-12(8,9)10/h7H,2-5H2,1H3,(H,8,9,10)/p-1.
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]ethyl sulfate?
2-[2-hydroxyethyl(methyl)amino]ethyl sulfate has a molecular weight of 198.22 g/mol, XLogP of -1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]ethyl sulfate is sourced from PubChem (CID 59107411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).