azane;2-(methylamino)ethanol;sulfuric acid

C3H17N3O5S — CID 175379230

IUPACazane;2-(methylamino)ethanol;sulfuric acid
SMILESCNCCO.N.N.O=S(=O)(O)O
InChIInChI=1S/C3H9NO.2H3N.H2O4S/c1-4-2-3-5;;;1-5(2,3)4/h4-5H,2-3H2,1H3;2*1H3;(H2,1,2,3,4)
InChIKeyAGUUOKVRNWPOPA-UHFFFAOYSA-N
MW207.25 g/mol
LogP-1.13
Rot. Bonds2

About azane;2-(methylamino)ethanol;sulfuric acid

azane;2-(methylamino)ethanol;sulfuric acid (PubChem CID 175379230) has the molecular formula C3H17N3O5S and a molecular weight of 207.25 g/mol. Its IUPAC name is azane;2-(methylamino)ethanol;sulfuric acid.

Molecular Properties

Compound Nameazane;2-(methylamino)ethanol;sulfuric acid
PubChem CID175379230
Molecular FormulaC3H17N3O5S
Molecular Weight207.25 g/mol
Exact Mass207.09
IUPAC Nameazane;2-(methylamino)ethanol;sulfuric acid
SMILESCNCCO.N.N.O=S(=O)(O)O
InChIInChI=1S/C3H9NO.2H3N.H2O4S/c1-4-2-3-5;;;1-5(2,3)4/h4-5H,2-3H2,1H3;2*1H3;(H2,1,2,3,4)
InChIKeyAGUUOKVRNWPOPA-UHFFFAOYSA-N
XLogP-1.13
TPSA176.86 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500207.25
LogP ≤ 5-1.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azane;2-(methylamino)ethanol;sulfuric acid?
The IUPAC name of azane;2-(methylamino)ethanol;sulfuric acid (CID 175379230) is azane;2-(methylamino)ethanol;sulfuric acid.
What is the SMILES notation for azane;2-(methylamino)ethanol;sulfuric acid?
The canonical SMILES for azane;2-(methylamino)ethanol;sulfuric acid is CNCCO.N.N.O=S(=O)(O)O.
What is the InChIKey of azane;2-(methylamino)ethanol;sulfuric acid?
The InChIKey is AGUUOKVRNWPOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.2H3N.H2O4S/c1-4-2-3-5;;;1-5(2,3)4/h4-5H,2-3H2,1H3;2*1H3;(H2,1,2,3,4).
What are the key properties of azane;2-(methylamino)ethanol;sulfuric acid?
azane;2-(methylamino)ethanol;sulfuric acid has a molecular weight of 207.25 g/mol, XLogP of -1.13, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(methylamino)ethanol;sulfuric acid is sourced from PubChem (CID 175379230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).