2-[ethenyl(methyl)amino]ethanesulfonic acid

C5H11NO3S — CID 141094385

IUPAC2-[ethenyl(methyl)amino]ethanesulfonic acid
SMILESC=CN(C)CCS(=O)(=O)O
InChIInChI=1S/C5H11NO3S/c1-3-6(2)4-5-10(7,8)9/h3H,1,4-5H2,2H3,(H,7,8,9)
InChIKeyUQGJENSIPRZKPL-UHFFFAOYSA-N
MW165.21 g/mol
LogP-0.05
Rot. Bonds4

About 2-[ethenyl(methyl)amino]ethanesulfonic acid

2-[ethenyl(methyl)amino]ethanesulfonic acid (PubChem CID 141094385) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is 2-[ethenyl(methyl)amino]ethanesulfonic acid.

Molecular Properties

Compound Name2-[ethenyl(methyl)amino]ethanesulfonic acid
PubChem CID141094385
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name2-[ethenyl(methyl)amino]ethanesulfonic acid
SMILESC=CN(C)CCS(=O)(=O)O
InChIInChI=1S/C5H11NO3S/c1-3-6(2)4-5-10(7,8)9/h3H,1,4-5H2,2H3,(H,7,8,9)
InChIKeyUQGJENSIPRZKPL-UHFFFAOYSA-N
XLogP-0.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.05
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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Related Compounds

(E)-2-(dimethylamino)ethenesulfonyl fluoride
CID 15065623
2-(Dimethylamino)ethene-1-sulfonyl fluoride
CID 71400708
(E)-N,N-dimethyl-2-methylsulfonylethenamine
CID 12950462
4-Methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide
CID 20813961
2-(3-methyl-2H-imidazol-1-yl)ethanesulfonic acid
CID 57281998
N-ethenyl-N-methylethenesulfonamide
CID 91510679
N,N-bis(ethenyl)ethanesulfonamide
CID 141586396
Methane;4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide
CID 159364196
Sodium;2-(aziridin-1-yl)ethenesulfonic acid;hydride
CID 173206111
2-[Methyl(prop-1-enyl)amino]ethanesulfonic acid
CID 174456031
3-[Bis(ethenyl)amino]propane-1-sulfonic acid
CID 176227597
1-[4-(1-Sulfoethyl)pyrazin-1-yl]ethanesulfonic acid
CID 87425206

Frequently Asked Questions

What is the IUPAC name of 2-[ethenyl(methyl)amino]ethanesulfonic acid?
The IUPAC name of 2-[ethenyl(methyl)amino]ethanesulfonic acid (CID 141094385) is 2-[ethenyl(methyl)amino]ethanesulfonic acid.
What is the SMILES notation for 2-[ethenyl(methyl)amino]ethanesulfonic acid?
The canonical SMILES for 2-[ethenyl(methyl)amino]ethanesulfonic acid is C=CN(C)CCS(=O)(=O)O.
What is the InChIKey of 2-[ethenyl(methyl)amino]ethanesulfonic acid?
The InChIKey is UQGJENSIPRZKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-3-6(2)4-5-10(7,8)9/h3H,1,4-5H2,2H3,(H,7,8,9).
What are the key properties of 2-[ethenyl(methyl)amino]ethanesulfonic acid?
2-[ethenyl(methyl)amino]ethanesulfonic acid has a molecular weight of 165.21 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethenyl(methyl)amino]ethanesulfonic acid is sourced from PubChem (CID 141094385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).