potassium;hexane-1-sulfonic acid;hydride

C6H15KO3S — CID 173172538

IUPACpotassium;hexane-1-sulfonic acid;hydride
SMILESCCCCCCS(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C6H14O3S.K.H/c1-2-3-4-5-6-10(7,8)9;;/h2-6H2,1H3,(H,7,8,9);;/q;+1;-1
InChIKeyDPNYVKLGZYJODA-UHFFFAOYSA-N
MW206.35 g/mol
LogP-1.43
Rot. Bonds5

About potassium;hexane-1-sulfonic acid;hydride

potassium;hexane-1-sulfonic acid;hydride (PubChem CID 173172538) has the molecular formula C6H15KO3S and a molecular weight of 206.35 g/mol. Its IUPAC name is potassium;hexane-1-sulfonic acid;hydride.

Molecular Properties

Compound Namepotassium;hexane-1-sulfonic acid;hydride
PubChem CID173172538
Molecular FormulaC6H15KO3S
Molecular Weight206.35 g/mol
Exact Mass206.04
IUPAC Namepotassium;hexane-1-sulfonic acid;hydride
SMILESCCCCCCS(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C6H14O3S.K.H/c1-2-3-4-5-6-10(7,8)9;;/h2-6H2,1H3,(H,7,8,9);;/q;+1;-1
InChIKeyDPNYVKLGZYJODA-UHFFFAOYSA-N
XLogP-1.43
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 5-1.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze potassium;hexane-1-sulfonic acid;hydride with MolForge

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

Launch Full Analysis

Related Compounds

magnesium;hydride;triacontane-1-sulfonic acid
CID 173018039
magnesium;dodecane-1-sulfonic acid;hydride
CID 173017577
decane-1-sulfonic acid
CID 157391186
sodium;dodecane-1-sulfonic acid;hydride;hydrochloride
CID 175497473
azanium octadecane-1-sulfonic acid
CID 20560144
decane-1-sulfonic acid;silver
CID 72587294
azane;octadecane-1-sulfonic acid
CID 173437409
magnesium;hydride;pentane-1-sulfonic acid
CID 174919972
CID 87263567
CID 87263567
copper;dodecane-1-sulfonic acid
CID 87837218
gold;pentane-1-sulfonic acid
CID 174800543
methanamine;pentane-1-sulfonic acid
CID 87578509

Frequently Asked Questions

What is the IUPAC name of potassium;hexane-1-sulfonic acid;hydride?
The IUPAC name of potassium;hexane-1-sulfonic acid;hydride (CID 173172538) is potassium;hexane-1-sulfonic acid;hydride.
What is the SMILES notation for potassium;hexane-1-sulfonic acid;hydride?
The canonical SMILES for potassium;hexane-1-sulfonic acid;hydride is CCCCCCS(=O)(=O)O.[H-].[K+].
What is the InChIKey of potassium;hexane-1-sulfonic acid;hydride?
The InChIKey is DPNYVKLGZYJODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3S.K.H/c1-2-3-4-5-6-10(7,8)9;;/h2-6H2,1H3,(H,7,8,9);;/q;+1;-1.
What are the key properties of potassium;hexane-1-sulfonic acid;hydride?
potassium;hexane-1-sulfonic acid;hydride has a molecular weight of 206.35 g/mol, XLogP of -1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hexane-1-sulfonic acid;hydride is sourced from PubChem (CID 173172538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).