2-aminoethanol;methanesulfonic acid

C3H11NO4S — CID 11586334

IUPAC2-aminoethanol;methanesulfonic acid
SMILESCS(=O)(=O)O.NCCO
InChIInChI=1S/C2H7NO.CH4O3S/c3-1-2-4;1-5(2,3)4/h4H,1-3H2;1H3,(H,2,3,4)
InChIKeyUSDJHFHQDMHVEW-UHFFFAOYSA-N
MW157.19 g/mol
LogP-1.56
Rot. Bonds1

About 2-aminoethanol;methanesulfonic acid

2-aminoethanol;methanesulfonic acid (PubChem CID 11586334) has the molecular formula C3H11NO4S and a molecular weight of 157.19 g/mol. Its IUPAC name is 2-aminoethanol;methanesulfonic acid.

Molecular Properties

Compound Name2-aminoethanol;methanesulfonic acid
PubChem CID11586334
Molecular FormulaC3H11NO4S
Molecular Weight157.19 g/mol
Exact Mass157.04
IUPAC Name2-aminoethanol;methanesulfonic acid
SMILESCS(=O)(=O)O.NCCO
InChIInChI=1S/C2H7NO.CH4O3S/c3-1-2-4;1-5(2,3)4/h4H,1-3H2;1H3,(H,2,3,4)
InChIKeyUSDJHFHQDMHVEW-UHFFFAOYSA-N
XLogP-1.56
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 5-1.56
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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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;methanesulfonic acid?
The IUPAC name of 2-aminoethanol;methanesulfonic acid (CID 11586334) is 2-aminoethanol;methanesulfonic acid.
What is the SMILES notation for 2-aminoethanol;methanesulfonic acid?
The canonical SMILES for 2-aminoethanol;methanesulfonic acid is CS(=O)(=O)O.NCCO.
What is the InChIKey of 2-aminoethanol;methanesulfonic acid?
The InChIKey is USDJHFHQDMHVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO.CH4O3S/c3-1-2-4;1-5(2,3)4/h4H,1-3H2;1H3,(H,2,3,4).
What are the key properties of 2-aminoethanol;methanesulfonic acid?
2-aminoethanol;methanesulfonic acid has a molecular weight of 157.19 g/mol, XLogP of -1.56, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;methanesulfonic acid is sourced from PubChem (CID 11586334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).