1-(ethenylamino)ethanesulfonic acid

C4H9NO3S — CID 18358426

IUPAC1-(ethenylamino)ethanesulfonic acid
SMILESC=CNC(C)S(=O)(=O)O
InChIInChI=1S/C4H9NO3S/c1-3-5-4(2)9(6,7)8/h3-5H,1H2,2H3,(H,6,7,8)
InChIKeyLVUKLFNJQMHOSO-UHFFFAOYSA-N
MW151.19 g/mol
LogP-0.05
Rot. Bonds3

About 1-(ethenylamino)ethanesulfonic acid

1-(ethenylamino)ethanesulfonic acid (PubChem CID 18358426) has the molecular formula C4H9NO3S and a molecular weight of 151.19 g/mol. Its IUPAC name is 1-(ethenylamino)ethanesulfonic acid.

Molecular Properties

Compound Name1-(ethenylamino)ethanesulfonic acid
PubChem CID18358426
Molecular FormulaC4H9NO3S
Molecular Weight151.19 g/mol
Exact Mass151.03
IUPAC Name1-(ethenylamino)ethanesulfonic acid
SMILESC=CNC(C)S(=O)(=O)O
InChIInChI=1S/C4H9NO3S/c1-3-5-4(2)9(6,7)8/h3-5H,1H2,2H3,(H,6,7,8)
InChIKeyLVUKLFNJQMHOSO-UHFFFAOYSA-N
XLogP-0.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 5-0.05
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

1-(prop-2-enoylamino)ethanesulfonic acid
CID 18361641
1-N,1-N'-bis(ethenyl)ethane-1,1-diamine;ethane
CID 143425316
sulfuric acid;tetramethylphosphanium
CID 87132357
2-(1-sulfoethylamino)propanoic acid
CID 88774126
sodium propane-2-sulfonic acid
CID 23363435
N-ethenyl-1,1,1-trifluoropropan-2-amine
CID 146650829
(3E)-4-methylhexa-3,5-diene-2-sulfonic acid
CID 139630124
azane;2-methyl-1-(prop-2-enoylamino)propane-1-sulfonic acid
CID 173264796
2-methyl-1-(prop-2-enoylamino)propane-1-sulfonic acid;hydrate
CID 141274766
1-(butylamino)ethanesulfonic acid
CID 88671365
2-methyl-1-(2-methylidenebut-3-enoylamino)propane-1-sulfonic acid
CID 139983159
trimethyl(1-sulfoethyl)azanium
CID 18321780

Frequently Asked Questions

What is the IUPAC name of 1-(ethenylamino)ethanesulfonic acid?
The IUPAC name of 1-(ethenylamino)ethanesulfonic acid (CID 18358426) is 1-(ethenylamino)ethanesulfonic acid.
What is the SMILES notation for 1-(ethenylamino)ethanesulfonic acid?
The canonical SMILES for 1-(ethenylamino)ethanesulfonic acid is C=CNC(C)S(=O)(=O)O.
What is the InChIKey of 1-(ethenylamino)ethanesulfonic acid?
The InChIKey is LVUKLFNJQMHOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3S/c1-3-5-4(2)9(6,7)8/h3-5H,1H2,2H3,(H,6,7,8).
What are the key properties of 1-(ethenylamino)ethanesulfonic acid?
1-(ethenylamino)ethanesulfonic acid has a molecular weight of 151.19 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethenylamino)ethanesulfonic acid is sourced from PubChem (CID 18358426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).