sodium;2-amino-1-hydroxyethanesulfonic acid;hydride

C2H8NNaO4S — CID 175556811

IUPACsodium;2-amino-1-hydroxyethanesulfonic acid;hydride
SMILESNCC(O)S(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C2H7NO4S.Na.H/c3-1-2(4)8(5,6)7;;/h2,4H,1,3H2,(H,5,6,7);;/q;+1;-1
InChIKeyLEKQMQOVGNOLDP-UHFFFAOYSA-N
MW165.15 g/mol
LogP-4.73
Rot. Bonds2

About sodium;2-amino-1-hydroxyethanesulfonic acid;hydride

sodium;2-amino-1-hydroxyethanesulfonic acid;hydride (PubChem CID 175556811) has the molecular formula C2H8NNaO4S and a molecular weight of 165.15 g/mol. Its IUPAC name is sodium;2-amino-1-hydroxyethanesulfonic acid;hydride.

Molecular Properties

Compound Namesodium;2-amino-1-hydroxyethanesulfonic acid;hydride
PubChem CID175556811
Molecular FormulaC2H8NNaO4S
Molecular Weight165.15 g/mol
Exact Mass165.01
IUPAC Namesodium;2-amino-1-hydroxyethanesulfonic acid;hydride
SMILESNCC(O)S(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C2H7NO4S.Na.H/c3-1-2(4)8(5,6)7;;/h2,4H,1,3H2,(H,5,6,7);;/q;+1;-1
InChIKeyLEKQMQOVGNOLDP-UHFFFAOYSA-N
XLogP-4.73
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-4.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;1,3-dihydroxypropane-1,3-disulfonic acid;hydride
CID 173490221
2-amino-1-ethylsulfonylethanol
CID 117037412
3-amino-1-hydroxy-3-oxopropane-1-sulfonic acid
CID 103574313
sodium;ethoxyethane;hydride;1-hydroxypropane-1-sulfonic acid
CID 174952019
(2R)-1-aminopropane-2-sulfonic acid
CID 55285188
CID 162308641
CID 162308641
disodium;1,2-diaminoethanol;hydride
CID 175201156
(2R)-3-amino-2-hydroxypropane-1-sulfonic acid
CID 154444546
tetrasodium;1,6-diaminohexane-1,6-disulfonic acid;hydride
CID 175094997
potassium 1-aminopropane-2-sulfonic acid
CID 23077128
2-(dihydroxyamino)-1-hydroxyethanesulfonic acid
CID 138503474
sodium;hydride;1-hydroxyethanesulfonic acid;hydrochloride
CID 173117052

Frequently Asked Questions

What is the IUPAC name of sodium;2-amino-1-hydroxyethanesulfonic acid;hydride?
The IUPAC name of sodium;2-amino-1-hydroxyethanesulfonic acid;hydride (CID 175556811) is sodium;2-amino-1-hydroxyethanesulfonic acid;hydride.
What is the SMILES notation for sodium;2-amino-1-hydroxyethanesulfonic acid;hydride?
The canonical SMILES for sodium;2-amino-1-hydroxyethanesulfonic acid;hydride is NCC(O)S(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;2-amino-1-hydroxyethanesulfonic acid;hydride?
The InChIKey is LEKQMQOVGNOLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO4S.Na.H/c3-1-2(4)8(5,6)7;;/h2,4H,1,3H2,(H,5,6,7);;/q;+1;-1.
What are the key properties of sodium;2-amino-1-hydroxyethanesulfonic acid;hydride?
sodium;2-amino-1-hydroxyethanesulfonic acid;hydride has a molecular weight of 165.15 g/mol, XLogP of -4.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-amino-1-hydroxyethanesulfonic acid;hydride is sourced from PubChem (CID 175556811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).