2-(ethylamino)ethane-1,1-disulfonic acid

C4H11NO6S2 — CID 154166868

IUPAC2-(ethylamino)ethane-1,1-disulfonic acid
SMILESCCNCC(S(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/C4H11NO6S2/c1-2-5-3-4(12(6,7)8)13(9,10)11/h4-5H,2-3H2,1H3,(H,6,7,8)(H,9,10,11)
InChIKeyUQCYZJDBTFGXQB-UHFFFAOYSA-N
MW233.27 g/mol
LogP-1.30
Rot. Bonds5

About 2-(ethylamino)ethane-1,1-disulfonic acid

2-(ethylamino)ethane-1,1-disulfonic acid (PubChem CID 154166868) has the molecular formula C4H11NO6S2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(ethylamino)ethane-1,1-disulfonic acid.

Molecular Properties

Compound Name2-(ethylamino)ethane-1,1-disulfonic acid
PubChem CID154166868
Molecular FormulaC4H11NO6S2
Molecular Weight233.27 g/mol
Exact Mass233.00
IUPAC Name2-(ethylamino)ethane-1,1-disulfonic acid
SMILESCCNCC(S(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/C4H11NO6S2/c1-2-5-3-4(12(6,7)8)13(9,10)11/h4-5H,2-3H2,1H3,(H,6,7,8)(H,9,10,11)
InChIKeyUQCYZJDBTFGXQB-UHFFFAOYSA-N
XLogP-1.30
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethylethanamine;methyl hydrogen sulfate
CID 88690329
ethylaminomethanesulfonic acid;hydrochloride
CID 174940745
N-ethyl-3-methyl-2-methylsulfonylbutan-1-amine
CID 66243826
N-ethylethanamine;propane-1-sulfonic acid
CID 159426890
ethylsulfamic acid;methane
CID 161279958
bis(N-ethylethanamine);bis(1-sulfanylpropane-1,3-disulfonic acid)
CID 173463882
1-(ethylamino)-4-propan-2-ylsulfonylbutan-2-ol
CID 106734200
CID 160940736
CID 160940736
N-ethylethanamine;sulfuryl dichloride
CID 174619621
2-hydroxyethane-1,1-disulfonic acid
CID 18781737
1-bromo-2-(ethylamino)ethanol
CID 151846776
3-(ethylaminomethyl)pentan-2-one
CID 143094053

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)ethane-1,1-disulfonic acid?
The IUPAC name of 2-(ethylamino)ethane-1,1-disulfonic acid (CID 154166868) is 2-(ethylamino)ethane-1,1-disulfonic acid.
What is the SMILES notation for 2-(ethylamino)ethane-1,1-disulfonic acid?
The canonical SMILES for 2-(ethylamino)ethane-1,1-disulfonic acid is CCNCC(S(=O)(=O)O)S(=O)(=O)O.
What is the InChIKey of 2-(ethylamino)ethane-1,1-disulfonic acid?
The InChIKey is UQCYZJDBTFGXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO6S2/c1-2-5-3-4(12(6,7)8)13(9,10)11/h4-5H,2-3H2,1H3,(H,6,7,8)(H,9,10,11).
What are the key properties of 2-(ethylamino)ethane-1,1-disulfonic acid?
2-(ethylamino)ethane-1,1-disulfonic acid has a molecular weight of 233.27 g/mol, XLogP of -1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)ethane-1,1-disulfonic acid is sourced from PubChem (CID 154166868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).