potassium 1-(ethylamino)ethanesulfonate

C4H10KNO3S — CID 141340659

IUPACpotassium 1-(ethylamino)ethanesulfonate
SMILESCCNC(C)S(=O)(=O)[O-].[K+]
InChIInChI=1S/C4H11NO3S.K/c1-3-5-4(2)9(6,7)8;/h4-5H,3H2,1-2H3,(H,6,7,8);/q;+1/p-1
InChIKeyGJIWRPYKZIUJNZ-UHFFFAOYSA-M
MW191.29 g/mol
LogP-3.51
Rot. Bonds3

About potassium 1-(ethylamino)ethanesulfonate

potassium 1-(ethylamino)ethanesulfonate (PubChem CID 141340659) has the molecular formula C4H10KNO3S and a molecular weight of 191.29 g/mol. Its IUPAC name is potassium 1-(ethylamino)ethanesulfonate.

Molecular Properties

Compound Namepotassium 1-(ethylamino)ethanesulfonate
PubChem CID141340659
Molecular FormulaC4H10KNO3S
Molecular Weight191.29 g/mol
Exact Mass191.00
IUPAC Namepotassium 1-(ethylamino)ethanesulfonate
SMILESCCNC(C)S(=O)(=O)[O-].[K+]
InChIInChI=1S/C4H11NO3S.K/c1-3-5-4(2)9(6,7)8;/h4-5H,3H2,1-2H3,(H,6,7,8);/q;+1/p-1
InChIKeyGJIWRPYKZIUJNZ-UHFFFAOYSA-M
XLogP-3.51
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.29
LogP ≤ 5-3.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 1-(ethylamino)ethanesulfonate?
The IUPAC name of potassium 1-(ethylamino)ethanesulfonate (CID 141340659) is potassium 1-(ethylamino)ethanesulfonate.
What is the SMILES notation for potassium 1-(ethylamino)ethanesulfonate?
The canonical SMILES for potassium 1-(ethylamino)ethanesulfonate is CCNC(C)S(=O)(=O)[O-].[K+].
What is the InChIKey of potassium 1-(ethylamino)ethanesulfonate?
The InChIKey is GJIWRPYKZIUJNZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11NO3S.K/c1-3-5-4(2)9(6,7)8;/h4-5H,3H2,1-2H3,(H,6,7,8);/q;+1/p-1.
What are the key properties of potassium 1-(ethylamino)ethanesulfonate?
potassium 1-(ethylamino)ethanesulfonate has a molecular weight of 191.29 g/mol, XLogP of -3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-(ethylamino)ethanesulfonate is sourced from PubChem (CID 141340659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).