potassium 2-[bis(2-hydroxyethyl)amino]ethanesulfonate

C6H14KNO5S — CID 58122640

IUPACpotassium 2-[bis(2-hydroxyethyl)amino]ethanesulfonate
SMILESO=S(=O)([O-])CCN(CCO)CCO.[K+]
InChIInChI=1S/C6H15NO5S.K/c8-4-1-7(2-5-9)3-6-13(10,11)12;/h8-9H,1-6H2,(H,10,11,12);/q;+1/p-1
InChIKeyHJEPWEXTXBGJPZ-UHFFFAOYSA-M
MW251.34 g/mol
LogP-5.18
Rot. Bonds7

About potassium 2-[bis(2-hydroxyethyl)amino]ethanesulfonate

potassium 2-[bis(2-hydroxyethyl)amino]ethanesulfonate (PubChem CID 58122640) has the molecular formula C6H14KNO5S and a molecular weight of 251.34 g/mol. Its IUPAC name is potassium 2-[bis(2-hydroxyethyl)amino]ethanesulfonate.

Molecular Properties

Compound Namepotassium 2-[bis(2-hydroxyethyl)amino]ethanesulfonate
PubChem CID58122640
Molecular FormulaC6H14KNO5S
Molecular Weight251.34 g/mol
Exact Mass251.02
IUPAC Namepotassium 2-[bis(2-hydroxyethyl)amino]ethanesulfonate
SMILESO=S(=O)([O-])CCN(CCO)CCO.[K+]
InChIInChI=1S/C6H15NO5S.K/c8-4-1-7(2-5-9)3-6-13(10,11)12;/h8-9H,1-6H2,(H,10,11,12);/q;+1/p-1
InChIKeyHJEPWEXTXBGJPZ-UHFFFAOYSA-M
XLogP-5.18
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 5-5.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(Bis(2-hydroxyethyl)amino)ethanesulphonic acid
CID 73243
Methanesulfonic acid, 1-[bis(2-hydroxyethyl)amino]-, sodium salt (1:1)
CID 23686658
N-(2-Hydroxyethyl)-N,N-Dimethyl-3-Sulfopropan-1-Aminium
CID 3016020
2-[Bis(2-hydroxyethyl)ammonio]ethanesulfonate
CID 6993707
1-Propanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-3-sulfo-, inner salt
CID 4985784
Sodium 2-(bis(2-hydroxyethyl)amino)ethane-1-sulfonate
CID 23671640
Sodium 2-(dimethylamino)-1-hydroxyethanesulfonate
CID 71607346
2-[2-Hydroxyethyl(methyl)amino]ethanesulfonic acid
CID 13587844
Bis-hydroxyethylaminoethane sulfonic acid
CID 21932458
N-bis-(hydroxyethyl)-2-aminoethanesulfonic acid
CID 22348500
3-[Bis(2-hydroxyethyl)amino]propanesulphonic acid
CID 94043
[Bis(2-hydroxyethyl)amino]methanesulfonic acid
CID 117651

Frequently Asked Questions

What is the IUPAC name of potassium 2-[bis(2-hydroxyethyl)amino]ethanesulfonate?
The IUPAC name of potassium 2-[bis(2-hydroxyethyl)amino]ethanesulfonate (CID 58122640) is potassium 2-[bis(2-hydroxyethyl)amino]ethanesulfonate.
What is the SMILES notation for potassium 2-[bis(2-hydroxyethyl)amino]ethanesulfonate?
The canonical SMILES for potassium 2-[bis(2-hydroxyethyl)amino]ethanesulfonate is O=S(=O)([O-])CCN(CCO)CCO.[K+].
What is the InChIKey of potassium 2-[bis(2-hydroxyethyl)amino]ethanesulfonate?
The InChIKey is HJEPWEXTXBGJPZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15NO5S.K/c8-4-1-7(2-5-9)3-6-13(10,11)12;/h8-9H,1-6H2,(H,10,11,12);/q;+1/p-1.
What are the key properties of potassium 2-[bis(2-hydroxyethyl)amino]ethanesulfonate?
potassium 2-[bis(2-hydroxyethyl)amino]ethanesulfonate has a molecular weight of 251.34 g/mol, XLogP of -5.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[bis(2-hydroxyethyl)amino]ethanesulfonate is sourced from PubChem (CID 58122640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).