methanesulfonic acid;2-(methylamino)ethanol

C4H13NO4S — CID 20512947

IUPACmethanesulfonic acid;2-(methylamino)ethanol
SMILESCNCCO.CS(=O)(=O)O
InChIInChI=1S/C3H9NO.CH4O3S/c1-4-2-3-5;1-5(2,3)4/h4-5H,2-3H2,1H3;1H3,(H,2,3,4)
InChIKeyQODLQOQCKWPZNR-UHFFFAOYSA-N
MW171.22 g/mol
LogP-1.30
Rot. Bonds2

About methanesulfonic acid;2-(methylamino)ethanol

methanesulfonic acid;2-(methylamino)ethanol (PubChem CID 20512947) has the molecular formula C4H13NO4S and a molecular weight of 171.22 g/mol. Its IUPAC name is methanesulfonic acid;2-(methylamino)ethanol.

Molecular Properties

Compound Namemethanesulfonic acid;2-(methylamino)ethanol
PubChem CID20512947
Molecular FormulaC4H13NO4S
Molecular Weight171.22 g/mol
Exact Mass171.06
IUPAC Namemethanesulfonic acid;2-(methylamino)ethanol
SMILESCNCCO.CS(=O)(=O)O
InChIInChI=1S/C3H9NO.CH4O3S/c1-4-2-3-5;1-5(2,3)4/h4-5H,2-3H2,1H3;1H3,(H,2,3,4)
InChIKeyQODLQOQCKWPZNR-UHFFFAOYSA-N
XLogP-1.30
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 5-1.30
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 methanesulfonic acid;2-(methylamino)ethanol?
The IUPAC name of methanesulfonic acid;2-(methylamino)ethanol (CID 20512947) is methanesulfonic acid;2-(methylamino)ethanol.
What is the SMILES notation for methanesulfonic acid;2-(methylamino)ethanol?
The canonical SMILES for methanesulfonic acid;2-(methylamino)ethanol is CNCCO.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;2-(methylamino)ethanol?
The InChIKey is QODLQOQCKWPZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.CH4O3S/c1-4-2-3-5;1-5(2,3)4/h4-5H,2-3H2,1H3;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;2-(methylamino)ethanol?
methanesulfonic acid;2-(methylamino)ethanol has a molecular weight of 171.22 g/mol, XLogP of -1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;2-(methylamino)ethanol is sourced from PubChem (CID 20512947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).