[ethyl(methyl)amino]methanesulfonic acid

C4H11NO3S — CID 20825048

IUPAC[ethyl(methyl)amino]methanesulfonic acid
SMILESCCN(C)CS(=O)(=O)O
InChIInChI=1S/C4H11NO3S/c1-3-5(2)4-9(6,7)8/h3-4H2,1-2H3,(H,6,7,8)
InChIKeyUYNPKSWYNVJQJN-UHFFFAOYSA-N
MW153.20 g/mol
LogP-0.22
Rot. Bonds3

About [ethyl(methyl)amino]methanesulfonic acid

[ethyl(methyl)amino]methanesulfonic acid (PubChem CID 20825048) has the molecular formula C4H11NO3S and a molecular weight of 153.20 g/mol. Its IUPAC name is [ethyl(methyl)amino]methanesulfonic acid.

Molecular Properties

Compound Name[ethyl(methyl)amino]methanesulfonic acid
PubChem CID20825048
Molecular FormulaC4H11NO3S
Molecular Weight153.20 g/mol
Exact Mass153.05
IUPAC Name[ethyl(methyl)amino]methanesulfonic acid
SMILESCCN(C)CS(=O)(=O)O
InChIInChI=1S/C4H11NO3S/c1-3-5(2)4-9(6,7)8/h3-4H2,1-2H3,(H,6,7,8)
InChIKeyUYNPKSWYNVJQJN-UHFFFAOYSA-N
XLogP-0.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [ethyl(methyl)amino]methanesulfonic acid?
The IUPAC name of [ethyl(methyl)amino]methanesulfonic acid (CID 20825048) is [ethyl(methyl)amino]methanesulfonic acid.
What is the SMILES notation for [ethyl(methyl)amino]methanesulfonic acid?
The canonical SMILES for [ethyl(methyl)amino]methanesulfonic acid is CCN(C)CS(=O)(=O)O.
What is the InChIKey of [ethyl(methyl)amino]methanesulfonic acid?
The InChIKey is UYNPKSWYNVJQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S/c1-3-5(2)4-9(6,7)8/h3-4H2,1-2H3,(H,6,7,8).
What are the key properties of [ethyl(methyl)amino]methanesulfonic acid?
[ethyl(methyl)amino]methanesulfonic acid has a molecular weight of 153.20 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(methyl)amino]methanesulfonic acid is sourced from PubChem (CID 20825048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).