1-aminopropane-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol

C7H20N2O5S — CID 174735970

IUPAC1-aminopropane-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol
SMILESCCC(N)S(=O)(=O)O.OCCNCCO
InChIInChI=1S/C4H11NO2.C3H9NO3S/c6-3-1-5-2-4-7;1-2-3(4)8(5,6)7/h5-7H,1-4H2;3H,2,4H2,1H3,(H,5,6,7)
InChIKeyXZHHKKJDYZUCIF-UHFFFAOYSA-N
MW244.31 g/mol
LogP-1.87
Rot. Bonds6

About 1-aminopropane-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol

1-aminopropane-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol (PubChem CID 174735970) has the molecular formula C7H20N2O5S and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-aminopropane-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol.

Molecular Properties

Compound Name1-aminopropane-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol
PubChem CID174735970
Molecular FormulaC7H20N2O5S
Molecular Weight244.31 g/mol
Exact Mass244.11
IUPAC Name1-aminopropane-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol
SMILESCCC(N)S(=O)(=O)O.OCCNCCO
InChIInChI=1S/C4H11NO2.C3H9NO3S/c6-3-1-5-2-4-7;1-2-3(4)8(5,6)7/h5-7H,1-4H2;3H,2,4H2,1H3,(H,5,6,7)
InChIKeyXZHHKKJDYZUCIF-UHFFFAOYSA-N
XLogP-1.87
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 5-1.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-aminopropane-1-sulfonic acid;3-(dimethylamino)propan-1-ol
CID 174873794
acetic acid;butane-2-sulfonic acid;N'-hexadecylethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol
CID 174998131
2-(2-ethylsulfonylethylamino)ethanol
CID 43807737
2-(2-hydroxyethylamino)ethanol;propane
CID 142274456
1-aminopropane-1-sulfonic acid;prop-2-enoic acid
CID 162096316
ethanesulfonic acid;2-(octadecylamino)ethanol
CID 20512907
ethanamine;2-(2-hydroxyethylamino)ethanol;hydrofluoride
CID 175606240
2-(2-hydroxyethylamino)ethanol;propanoic acid
CID 161172891
2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine
CID 161423739
2-(ethylamino)ethanol;hydroxylamine
CID 159506848
2-(propylamino)ethanol;hydrobromide
CID 175488073
(2R)-butane-2-sulfonic acid
CID 46398806

Frequently Asked Questions

What is the IUPAC name of 1-aminopropane-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol?
The IUPAC name of 1-aminopropane-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol (CID 174735970) is 1-aminopropane-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol.
What is the SMILES notation for 1-aminopropane-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol?
The canonical SMILES for 1-aminopropane-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol is CCC(N)S(=O)(=O)O.OCCNCCO.
What is the InChIKey of 1-aminopropane-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol?
The InChIKey is XZHHKKJDYZUCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.C3H9NO3S/c6-3-1-5-2-4-7;1-2-3(4)8(5,6)7/h5-7H,1-4H2;3H,2,4H2,1H3,(H,5,6,7).
What are the key properties of 1-aminopropane-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol?
1-aminopropane-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol has a molecular weight of 244.31 g/mol, XLogP of -1.87, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropane-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol is sourced from PubChem (CID 174735970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).