potassium 2-[bis(1-hydroxybutan-2-yl)amino]ethanesulfonate

C10H22KNO5S — CID 59343909

IUPACpotassium 2-[bis(1-hydroxybutan-2-yl)amino]ethanesulfonate
SMILESCCC(CO)N(CCS(=O)(=O)[O-])C(CC)CO.[K+]
InChIInChI=1S/C10H23NO5S.K/c1-3-9(7-12)11(10(4-2)8-13)5-6-17(14,15)16;/h9-10,12-13H,3-8H2,1-2H3,(H,14,15,16);/q;+1/p-1
InChIKeyHMOYQEJAZHMPTE-UHFFFAOYSA-M
MW307.45 g/mol
LogP-3.62
Rot. Bonds9

About potassium 2-[bis(1-hydroxybutan-2-yl)amino]ethanesulfonate

potassium 2-[bis(1-hydroxybutan-2-yl)amino]ethanesulfonate (PubChem CID 59343909) has the molecular formula C10H22KNO5S and a molecular weight of 307.45 g/mol. Its IUPAC name is potassium 2-[bis(1-hydroxybutan-2-yl)amino]ethanesulfonate.

Molecular Properties

Compound Namepotassium 2-[bis(1-hydroxybutan-2-yl)amino]ethanesulfonate
PubChem CID59343909
Molecular FormulaC10H22KNO5S
Molecular Weight307.45 g/mol
Exact Mass307.09
IUPAC Namepotassium 2-[bis(1-hydroxybutan-2-yl)amino]ethanesulfonate
SMILESCCC(CO)N(CCS(=O)(=O)[O-])C(CC)CO.[K+]
InChIInChI=1S/C10H23NO5S.K/c1-3-9(7-12)11(10(4-2)8-13)5-6-17(14,15)16;/h9-10,12-13H,3-8H2,1-2H3,(H,14,15,16);/q;+1/p-1
InChIKeyHMOYQEJAZHMPTE-UHFFFAOYSA-M
XLogP-3.62
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.45
LogP ≤ 5-3.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze potassium 2-[bis(1-hydroxybutan-2-yl)amino]ethanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium 2-[bis(1-hydroxybutan-2-yl)amino]ethanesulfonate?
The IUPAC name of potassium 2-[bis(1-hydroxybutan-2-yl)amino]ethanesulfonate (CID 59343909) is potassium 2-[bis(1-hydroxybutan-2-yl)amino]ethanesulfonate.
What is the SMILES notation for potassium 2-[bis(1-hydroxybutan-2-yl)amino]ethanesulfonate?
The canonical SMILES for potassium 2-[bis(1-hydroxybutan-2-yl)amino]ethanesulfonate is CCC(CO)N(CCS(=O)(=O)[O-])C(CC)CO.[K+].
What is the InChIKey of potassium 2-[bis(1-hydroxybutan-2-yl)amino]ethanesulfonate?
The InChIKey is HMOYQEJAZHMPTE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H23NO5S.K/c1-3-9(7-12)11(10(4-2)8-13)5-6-17(14,15)16;/h9-10,12-13H,3-8H2,1-2H3,(H,14,15,16);/q;+1/p-1.
What are the key properties of potassium 2-[bis(1-hydroxybutan-2-yl)amino]ethanesulfonate?
potassium 2-[bis(1-hydroxybutan-2-yl)amino]ethanesulfonate has a molecular weight of 307.45 g/mol, XLogP of -3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[bis(1-hydroxybutan-2-yl)amino]ethanesulfonate is sourced from PubChem (CID 59343909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).