2-[2-hydroxyethyl(methyl)amino]ethanol;sulfamic acid

C5H16N2O5S — CID 174686265

IUPAC2-[2-hydroxyethyl(methyl)amino]ethanol;sulfamic acid
SMILESCN(CCO)CCO.NS(=O)(=O)O
InChIInChI=1S/C5H13NO2.H3NO3S/c1-6(2-4-7)3-5-8;1-5(2,3)4/h7-8H,2-5H2,1H3;(H3,1,2,3,4)
InChIKeyHYQQIKJGSPFKNZ-UHFFFAOYSA-N
MW216.26 g/mol
LogP-2.35
Rot. Bonds4

About 2-[2-hydroxyethyl(methyl)amino]ethanol;sulfamic acid

2-[2-hydroxyethyl(methyl)amino]ethanol;sulfamic acid (PubChem CID 174686265) has the molecular formula C5H16N2O5S and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]ethanol;sulfamic acid.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]ethanol;sulfamic acid
PubChem CID174686265
Molecular FormulaC5H16N2O5S
Molecular Weight216.26 g/mol
Exact Mass216.08
IUPAC Name2-[2-hydroxyethyl(methyl)amino]ethanol;sulfamic acid
SMILESCN(CCO)CCO.NS(=O)(=O)O
InChIInChI=1S/C5H13NO2.H3NO3S/c1-6(2-4-7)3-5-8;1-5(2,3)4/h7-8H,2-5H2,1H3;(H3,1,2,3,4)
InChIKeyHYQQIKJGSPFKNZ-UHFFFAOYSA-N
XLogP-2.35
TPSA124.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 5-2.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
2-[2-hydroxyethyl(methyl)amino]ethanol;propane
CID 142839761
acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 160580460
2-(dimethylamino)ethanol;sulfuric acid
CID 11557415
2-[2-hydroxyethyl(methyl)amino]ethyl sulfate
CID 59107411
4-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methylheptane-1,7-disulfonic acid
CID 89397530
hydron;2-[2-hydroxyethyl(methyl)amino]ethanol;tetrafluoroborate
CID 174603655
2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol
CID 139832314
2-[4-aminobutyl(methyl)amino]ethanol
CID 12647849
ethane;sulfamic acid
CID 172846940
heptane-1,7-diol;sulfamic acid
CID 174999895
2-[2,2-dichloroethyl(methyl)amino]ethanol;methyl hydrogen sulfate
CID 175588943

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(methyl)amino]ethanol;sulfamic acid?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]ethanol;sulfamic acid (CID 174686265) is 2-[2-hydroxyethyl(methyl)amino]ethanol;sulfamic acid.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]ethanol;sulfamic acid?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]ethanol;sulfamic acid is CN(CCO)CCO.NS(=O)(=O)O.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]ethanol;sulfamic acid?
The InChIKey is HYQQIKJGSPFKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2.H3NO3S/c1-6(2-4-7)3-5-8;1-5(2,3)4/h7-8H,2-5H2,1H3;(H3,1,2,3,4).
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]ethanol;sulfamic acid?
2-[2-hydroxyethyl(methyl)amino]ethanol;sulfamic acid has a molecular weight of 216.26 g/mol, XLogP of -2.35, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]ethanol;sulfamic acid is sourced from PubChem (CID 174686265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).