ethylamino hydrogen sulfate

C2H7NO4S — CID 19763171

IUPACethylamino hydrogen sulfate
SMILESCCNOS(=O)(=O)O
InChIInChI=1S/C2H7NO4S/c1-2-3-7-8(4,5)6/h3H,2H2,1H3,(H,4,5,6)
InChIKeyALRAJXAKRWFEGP-UHFFFAOYSA-N
MW141.15 g/mol
LogP-0.67
Rot. Bonds3

About ethylamino hydrogen sulfate

ethylamino hydrogen sulfate (PubChem CID 19763171) has the molecular formula C2H7NO4S and a molecular weight of 141.15 g/mol. Its IUPAC name is ethylamino hydrogen sulfate.

Molecular Properties

Compound Nameethylamino hydrogen sulfate
PubChem CID19763171
Molecular FormulaC2H7NO4S
Molecular Weight141.15 g/mol
Exact Mass141.01
IUPAC Nameethylamino hydrogen sulfate
SMILESCCNOS(=O)(=O)O
InChIInChI=1S/C2H7NO4S/c1-2-3-7-8(4,5)6/h3H,2H2,1H3,(H,4,5,6)
InChIKeyALRAJXAKRWFEGP-UHFFFAOYSA-N
XLogP-0.67
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
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

N-propan-2-ylhydroxylamine;sulfuric acid
CID 88425950
Hydrogen sulfate;hydroxy(propan-2-yl)azanium
CID 57351939
Ethylammonium hydrogensulfate
CID 134716576
N-isopropyl-hydroxylamine-O-sulfonic acid
CID 85701364
Ethyl(hydroxy)azanium;methyl sulfate
CID 18426442
Ethyl(hydroxy)azanium;hydrogen sulfate
CID 19822603
2-Aminoethane hydrogen sulfate
CID 19907958
1-(Hydroxyamino)ethylsulfamic acid
CID 88137302
N-ethylhydroxylamine;sulfuric acid
CID 88333874
(Chlorosulfonyloxyamino)ethane
CID 88632984
Propylamino hydrogen sulfate
CID 141109022
Ethylamino hydrogen sulfite
CID 151266452

Frequently Asked Questions

What is the IUPAC name of ethylamino hydrogen sulfate?
The IUPAC name of ethylamino hydrogen sulfate (CID 19763171) is ethylamino hydrogen sulfate.
What is the SMILES notation for ethylamino hydrogen sulfate?
The canonical SMILES for ethylamino hydrogen sulfate is CCNOS(=O)(=O)O.
What is the InChIKey of ethylamino hydrogen sulfate?
The InChIKey is ALRAJXAKRWFEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO4S/c1-2-3-7-8(4,5)6/h3H,2H2,1H3,(H,4,5,6).
What are the key properties of ethylamino hydrogen sulfate?
ethylamino hydrogen sulfate has a molecular weight of 141.15 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethylamino hydrogen sulfate is sourced from PubChem (CID 19763171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).