amino 2-hydroxyethoxymethanesulfonate

C3H9NO5S — CID 21129066

IUPACamino 2-hydroxyethoxymethanesulfonate
SMILESNOS(=O)(=O)COCCO
InChIInChI=1S/C3H9NO5S/c4-9-10(6,7)3-8-2-1-5/h5H,1-4H2
InChIKeyAUNJQJHJEZJHFL-UHFFFAOYSA-N
MW171.17 g/mol
LogP-1.83
Rot. Bonds5

About amino 2-hydroxyethoxymethanesulfonate

amino 2-hydroxyethoxymethanesulfonate (PubChem CID 21129066) has the molecular formula C3H9NO5S and a molecular weight of 171.17 g/mol. Its IUPAC name is amino 2-hydroxyethoxymethanesulfonate.

Molecular Properties

Compound Nameamino 2-hydroxyethoxymethanesulfonate
PubChem CID21129066
Molecular FormulaC3H9NO5S
Molecular Weight171.17 g/mol
Exact Mass171.02
IUPAC Nameamino 2-hydroxyethoxymethanesulfonate
SMILESNOS(=O)(=O)COCCO
InChIInChI=1S/C3H9NO5S/c4-9-10(6,7)3-8-2-1-5/h5H,1-4H2
InChIKeyAUNJQJHJEZJHFL-UHFFFAOYSA-N
XLogP-1.83
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 5-1.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid
CID 87626226
2-ethoxyethanol;sulfuric acid
CID 87749123
bis[2-(2-hydroxyethoxy)ethyl] sulfate
CID 139845365
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
CID 159345993
CID 159345993
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
2-(2-hydroxyethoxy)ethanol;dihydrate
CID 22572092
2-(2-hydroxyethoxy)ethyl hydrogen sulfate
CID 15300697
CID 162169073
CID 162169073
2-[2-(methylsulfamoylamino)ethoxy]ethanol
CID 114809454
magnesium;hydride;2-(2-hydroxyethoxy)ethanol
CID 175108032

Frequently Asked Questions

What is the IUPAC name of amino 2-hydroxyethoxymethanesulfonate?
The IUPAC name of amino 2-hydroxyethoxymethanesulfonate (CID 21129066) is amino 2-hydroxyethoxymethanesulfonate.
What is the SMILES notation for amino 2-hydroxyethoxymethanesulfonate?
The canonical SMILES for amino 2-hydroxyethoxymethanesulfonate is NOS(=O)(=O)COCCO.
What is the InChIKey of amino 2-hydroxyethoxymethanesulfonate?
The InChIKey is AUNJQJHJEZJHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO5S/c4-9-10(6,7)3-8-2-1-5/h5H,1-4H2.
What are the key properties of amino 2-hydroxyethoxymethanesulfonate?
amino 2-hydroxyethoxymethanesulfonate has a molecular weight of 171.17 g/mol, XLogP of -1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-hydroxyethoxymethanesulfonate is sourced from PubChem (CID 21129066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).