bis(2-hydroxyethyl)azanium sulfamate

C4H14N2O5S — CID 57349967

IUPACbis(2-hydroxyethyl)azanium sulfamate
SMILESNS(=O)(=O)[O-].OCC[NH2+]CCO
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-4.06
Rot. Bonds4

About bis(2-hydroxyethyl)azanium sulfamate

bis(2-hydroxyethyl)azanium sulfamate (PubChem CID 57349967) has the molecular formula C4H14N2O5S and a molecular weight of 202.23 g/mol. Its IUPAC name is bis(2-hydroxyethyl)azanium sulfamate.

Molecular Properties

Compound Namebis(2-hydroxyethyl)azanium sulfamate
PubChem CID57349967
Molecular FormulaC4H14N2O5S
Molecular Weight202.23 g/mol
Exact Mass202.06
IUPAC Namebis(2-hydroxyethyl)azanium sulfamate
SMILESNS(=O)(=O)[O-].OCC[NH2+]CCO
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-4.06
TPSA140.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-4.06
H-Bond Donors ≤ 54
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 bis(2-hydroxyethyl)azanium sulfamate?
The IUPAC name of bis(2-hydroxyethyl)azanium sulfamate (CID 57349967) is bis(2-hydroxyethyl)azanium sulfamate.
What is the SMILES notation for bis(2-hydroxyethyl)azanium sulfamate?
The canonical SMILES for bis(2-hydroxyethyl)azanium sulfamate is NS(=O)(=O)[O-].OCC[NH2+]CCO.
What is the InChIKey of bis(2-hydroxyethyl)azanium sulfamate?
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 bis(2-hydroxyethyl)azanium sulfamate?
bis(2-hydroxyethyl)azanium sulfamate has a molecular weight of 202.23 g/mol, XLogP of -4.06, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl)azanium sulfamate is sourced from PubChem (CID 57349967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).