2-(methylamino)ethanesulfonic acid

C3H9NO3S — CID 7882

IUPAC2-(methylamino)ethanesulfonic acid
SMILESCNCCS(=O)(=O)O
InChIInChI=1S/C3H9NO3S/c1-4-2-3-8(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)
InChIKeySUZRRICLUFMAQD-UHFFFAOYSA-N
MW139.18 g/mol
LogP-0.91
Rot. Bonds3

About 2-(methylamino)ethanesulfonic acid

2-(methylamino)ethanesulfonic acid (PubChem CID 7882) has the molecular formula C3H9NO3S and a molecular weight of 139.18 g/mol. Its IUPAC name is 2-(methylamino)ethanesulfonic acid.

Molecular Properties

Compound Name2-(methylamino)ethanesulfonic acid
PubChem CID7882
Molecular FormulaC3H9NO3S
Molecular Weight139.18 g/mol
Exact Mass139.03
IUPAC Name2-(methylamino)ethanesulfonic acid
SMILESCNCCS(=O)(=O)O
InChIInChI=1S/C3H9NO3S/c1-4-2-3-8(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)
InChIKeySUZRRICLUFMAQD-UHFFFAOYSA-N
XLogP-0.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Tramiprosate
CID 1646
Sodium Methyltaurate
CID 23684896
1-Aminoethanesulfonic acid
CID 344570
Thiosulfuric acid (H2S2O3), S-(2-(methylamino)ethyl) ester
CID 70472
(2-Methanesulfonylethyl)(methyl)amine
CID 3856040
3-(Methylamino)propane-1-sulfonic acid
CID 20504852
2-(Methylamino)ethane-1-sulfonamide hydrochloride
CID 126806011
2-(Butylamino)ethanesulphonic acid
CID 87147
Ethanesulfonic acid, 2-(ethylamino)-
CID 10176225
Taurine Hydrochloride
CID 22174439
Ethanesulfonic acid, 2-(methylamino)-, ion(1-)
CID 22500965
CID 6994586
CID 6994586

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)ethanesulfonic acid?
The IUPAC name of 2-(methylamino)ethanesulfonic acid (CID 7882) is 2-(methylamino)ethanesulfonic acid.
What is the SMILES notation for 2-(methylamino)ethanesulfonic acid?
The canonical SMILES for 2-(methylamino)ethanesulfonic acid is CNCCS(=O)(=O)O.
What is the InChIKey of 2-(methylamino)ethanesulfonic acid?
The InChIKey is SUZRRICLUFMAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3S/c1-4-2-3-8(5,6)7/h4H,2-3H2,1H3,(H,5,6,7).
What are the key properties of 2-(methylamino)ethanesulfonic acid?
2-(methylamino)ethanesulfonic acid has a molecular weight of 139.18 g/mol, XLogP of -0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)ethanesulfonic acid is sourced from PubChem (CID 7882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).