potassium 2-acetamido-2-hydroxyethanesulfonate

C4H8KNO5S — CID 58995640

IUPACpotassium 2-acetamido-2-hydroxyethanesulfonate
SMILESCC(=O)NC(O)CS(=O)(=O)[O-].[K+]
InChIInChI=1S/C4H9NO5S.K/c1-3(6)5-4(7)2-11(8,9)10;/h4,7H,2H2,1H3,(H,5,6)(H,8,9,10);/q;+1/p-1
InChIKeyGXJNQLWCXDMPHR-UHFFFAOYSA-M
MW221.27 g/mol
LogP-5.01
Rot. Bonds3

About potassium 2-acetamido-2-hydroxyethanesulfonate

potassium 2-acetamido-2-hydroxyethanesulfonate (PubChem CID 58995640) has the molecular formula C4H8KNO5S and a molecular weight of 221.27 g/mol. Its IUPAC name is potassium 2-acetamido-2-hydroxyethanesulfonate.

Molecular Properties

Compound Namepotassium 2-acetamido-2-hydroxyethanesulfonate
PubChem CID58995640
Molecular FormulaC4H8KNO5S
Molecular Weight221.27 g/mol
Exact Mass220.98
IUPAC Namepotassium 2-acetamido-2-hydroxyethanesulfonate
SMILESCC(=O)NC(O)CS(=O)(=O)[O-].[K+]
InChIInChI=1S/C4H9NO5S.K/c1-3(6)5-4(7)2-11(8,9)10;/h4,7H,2H2,1H3,(H,5,6)(H,8,9,10);/q;+1/p-1
InChIKeyGXJNQLWCXDMPHR-UHFFFAOYSA-M
XLogP-5.01
TPSA106.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 5-5.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

dilithium;2-acetamido-3-sulfonatopropanoate
CID 23542740
potassium 2-hydroxybutane-1-sulfonate
CID 59092896
potassium 2-methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate
CID 138705740
2-(prop-2-enoylamino)butane-1-sulfonate
CID 19690629
lithium 2-(2-methylprop-2-enoyloxy)propane-1-sulfonate
CID 122610801
2-acetamidobutane-1-sulfonic acid
CID 174784866
potassium 1-(2-methylprop-2-enoylamino)propane-1-sulfonate
CID 87553000
N-propan-2-ylsulfonylacetamide
CID 18730103
sodium 3-hydroxy-2-(2-methylbutanoylamino)-3-oxopropane-1-sulfonate
CID 59439707
bis(2-methylprop-2-enoylamino)methanesulfonate
CID 140789010
N-(2-hydroxy-1-sulfanylethyl)acetamide
CID 147296695
N-(1-acetamido-2-methylpropyl)acetamide
CID 14691990

Frequently Asked Questions

What is the IUPAC name of potassium 2-acetamido-2-hydroxyethanesulfonate?
The IUPAC name of potassium 2-acetamido-2-hydroxyethanesulfonate (CID 58995640) is potassium 2-acetamido-2-hydroxyethanesulfonate.
What is the SMILES notation for potassium 2-acetamido-2-hydroxyethanesulfonate?
The canonical SMILES for potassium 2-acetamido-2-hydroxyethanesulfonate is CC(=O)NC(O)CS(=O)(=O)[O-].[K+].
What is the InChIKey of potassium 2-acetamido-2-hydroxyethanesulfonate?
The InChIKey is GXJNQLWCXDMPHR-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9NO5S.K/c1-3(6)5-4(7)2-11(8,9)10;/h4,7H,2H2,1H3,(H,5,6)(H,8,9,10);/q;+1/p-1.
What are the key properties of potassium 2-acetamido-2-hydroxyethanesulfonate?
potassium 2-acetamido-2-hydroxyethanesulfonate has a molecular weight of 221.27 g/mol, XLogP of -5.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-acetamido-2-hydroxyethanesulfonate is sourced from PubChem (CID 58995640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).