[3-(2-aminoethoxy)-2-hydroxypropyl]sulfamic acid

C5H14N2O5S — CID 15354179

IUPAC[3-(2-aminoethoxy)-2-hydroxypropyl]sulfamic acid
SMILESNCCOCC(O)CNS(=O)(=O)O
InChIInChI=1S/C5H14N2O5S/c6-1-2-12-4-5(8)3-7-13(9,10)11/h5,7-8H,1-4,6H2,(H,9,10,11)
InChIKeyBHQFKRWMBKQVRG-UHFFFAOYSA-N
MW214.24 g/mol
LogP-2.29
Rot. Bonds7

About [3-(2-aminoethoxy)-2-hydroxypropyl]sulfamic acid

[3-(2-aminoethoxy)-2-hydroxypropyl]sulfamic acid (PubChem CID 15354179) has the molecular formula C5H14N2O5S and a molecular weight of 214.24 g/mol. Its IUPAC name is [3-(2-aminoethoxy)-2-hydroxypropyl]sulfamic acid.

Molecular Properties

Compound Name[3-(2-aminoethoxy)-2-hydroxypropyl]sulfamic acid
PubChem CID15354179
Molecular FormulaC5H14N2O5S
Molecular Weight214.24 g/mol
Exact Mass214.06
IUPAC Name[3-(2-aminoethoxy)-2-hydroxypropyl]sulfamic acid
SMILESNCCOCC(O)CNS(=O)(=O)O
InChIInChI=1S/C5H14N2O5S/c6-1-2-12-4-5(8)3-7-13(9,10)11/h5,7-8H,1-4,6H2,(H,9,10,11)
InChIKeyBHQFKRWMBKQVRG-UHFFFAOYSA-N
XLogP-2.29
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 5-2.29
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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Related Compounds

[2-hydroxy-3-[3-(methylamino)propoxy]propyl]sulfamic acid
CID 15354195
3-[2-hydroxy-3-(sulfomethylamino)propoxy]propane-1-sulfonic acid
CID 166824674
1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol
CID 106939746
1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 62141108
(2R)-1-(2-aminoethylamino)-3-butoxypropan-2-ol
CID 92574092
1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-propoxypropan-2-ol
CID 132934310
1-(2-aminoethoxy)propan-2-ol;hydrochloride
CID 86645518
(1R)-1-amino-2-[2-(2-aminoethoxy)ethoxy]ethanol
CID 118402947
2-(2-aminoethoxy)-1-(1-hydroxyethylamino)ethanol
CID 57197052
ethane-1,2-diamine;methanesulfonic acid
CID 161046577
N-[3-[(3-butoxy-2-hydroxypropyl)amino]propyl]methanesulfonamide
CID 107266523
2-(2-aminoethoxy)-1-hydroxy-2-oxoethanesulfonic acid
CID 174521915

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethoxy)-2-hydroxypropyl]sulfamic acid?
The IUPAC name of [3-(2-aminoethoxy)-2-hydroxypropyl]sulfamic acid (CID 15354179) is [3-(2-aminoethoxy)-2-hydroxypropyl]sulfamic acid.
What is the SMILES notation for [3-(2-aminoethoxy)-2-hydroxypropyl]sulfamic acid?
The canonical SMILES for [3-(2-aminoethoxy)-2-hydroxypropyl]sulfamic acid is NCCOCC(O)CNS(=O)(=O)O.
What is the InChIKey of [3-(2-aminoethoxy)-2-hydroxypropyl]sulfamic acid?
The InChIKey is BHQFKRWMBKQVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O5S/c6-1-2-12-4-5(8)3-7-13(9,10)11/h5,7-8H,1-4,6H2,(H,9,10,11).
What are the key properties of [3-(2-aminoethoxy)-2-hydroxypropyl]sulfamic acid?
[3-(2-aminoethoxy)-2-hydroxypropyl]sulfamic acid has a molecular weight of 214.24 g/mol, XLogP of -2.29, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethoxy)-2-hydroxypropyl]sulfamic acid is sourced from PubChem (CID 15354179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).