2-(2-hydroxyethylamino)ethanol;sulfamic acid

C4H14N2O5S — CID 6451951

IUPAC2-(2-hydroxyethylamino)ethanol;sulfamic acid
SMILESNS(=O)(=O)O.OCCNCCO
InChIInChI=1S/C4H11NO2.H3NO3S/c6-3-1-5-2-4-7;1-5(2,3)4/h5-7H,1-4H2;(H3,1,2,3,4)
InChIKeyCGVQSPFFDKZASE-UHFFFAOYSA-N
MW202.23 g/mol
LogP-2.69
Rot. Bonds4

About 2-(2-hydroxyethylamino)ethanol;sulfamic acid

2-(2-hydroxyethylamino)ethanol;sulfamic acid (PubChem CID 6451951) has the molecular formula C4H14N2O5S and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol;sulfamic acid.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol;sulfamic acid
PubChem CID6451951
Molecular FormulaC4H14N2O5S
Molecular Weight202.23 g/mol
Exact Mass202.06
IUPAC Name2-(2-hydroxyethylamino)ethanol;sulfamic acid
SMILESNS(=O)(=O)O.OCCNCCO
InChIInChI=1S/C4H11NO2.H3NO3S/c6-3-1-5-2-4-7;1-5(2,3)4/h5-7H,1-4H2;(H3,1,2,3,4)
InChIKeyCGVQSPFFDKZASE-UHFFFAOYSA-N
XLogP-2.69
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-2.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethanol;sulfamic acid?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol;sulfamic acid (CID 6451951) is 2-(2-hydroxyethylamino)ethanol;sulfamic acid.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol;sulfamic acid?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanol;sulfamic acid is NS(=O)(=O)O.OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol;sulfamic acid?
The InChIKey is CGVQSPFFDKZASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.H3NO3S/c6-3-1-5-2-4-7;1-5(2,3)4/h5-7H,1-4H2;(H3,1,2,3,4).
What are the key properties of 2-(2-hydroxyethylamino)ethanol;sulfamic acid?
2-(2-hydroxyethylamino)ethanol;sulfamic acid has a molecular weight of 202.23 g/mol, XLogP of -2.69, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanol;sulfamic acid is sourced from PubChem (CID 6451951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).