acetamide;2-hydroxyethanesulfonic acid

C4H11NO5S — CID 174595105

IUPACacetamide;2-hydroxyethanesulfonic acid
SMILESCC(N)=O.O=S(=O)(O)CCO
InChIInChI=1S/C2H5NO.C2H6O4S/c1-2(3)4;3-1-2-7(4,5)6/h1H3,(H2,3,4);3H,1-2H2,(H,4,5,6)
InChIKeyCCQBVJOXOXXDIH-UHFFFAOYSA-N
MW185.20 g/mol
LogP-1.64
Rot. Bonds2

About acetamide;2-hydroxyethanesulfonic acid

acetamide;2-hydroxyethanesulfonic acid (PubChem CID 174595105) has the molecular formula C4H11NO5S and a molecular weight of 185.20 g/mol. Its IUPAC name is acetamide;2-hydroxyethanesulfonic acid.

Molecular Properties

Compound Nameacetamide;2-hydroxyethanesulfonic acid
PubChem CID174595105
Molecular FormulaC4H11NO5S
Molecular Weight185.20 g/mol
Exact Mass185.04
IUPAC Nameacetamide;2-hydroxyethanesulfonic acid
SMILESCC(N)=O.O=S(=O)(O)CCO
InChIInChI=1S/C2H5NO.C2H6O4S/c1-2(3)4;3-1-2-7(4,5)6/h1H3,(H2,3,4);3H,1-2H2,(H,4,5,6)
InChIKeyCCQBVJOXOXXDIH-UHFFFAOYSA-N
XLogP-1.64
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 5-1.64
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

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Frequently Asked Questions

What is the IUPAC name of acetamide;2-hydroxyethanesulfonic acid?
The IUPAC name of acetamide;2-hydroxyethanesulfonic acid (CID 174595105) is acetamide;2-hydroxyethanesulfonic acid.
What is the SMILES notation for acetamide;2-hydroxyethanesulfonic acid?
The canonical SMILES for acetamide;2-hydroxyethanesulfonic acid is CC(N)=O.O=S(=O)(O)CCO.
What is the InChIKey of acetamide;2-hydroxyethanesulfonic acid?
The InChIKey is CCQBVJOXOXXDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO.C2H6O4S/c1-2(3)4;3-1-2-7(4,5)6/h1H3,(H2,3,4);3H,1-2H2,(H,4,5,6).
What are the key properties of acetamide;2-hydroxyethanesulfonic acid?
acetamide;2-hydroxyethanesulfonic acid has a molecular weight of 185.20 g/mol, XLogP of -1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;2-hydroxyethanesulfonic acid is sourced from PubChem (CID 174595105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).