dimethylazanium;pentane-1-sulfonate

C7H19NO3S — CID 122481233

IUPACdimethylazanium;pentane-1-sulfonate
SMILESCCCCCS(=O)(=O)[O-].C[NH2+]C
InChIInChI=1S/C5H12O3S.C2H7N/c1-2-3-4-5-9(6,7)8;1-3-2/h2-5H2,1H3,(H,6,7,8);3H,1-2H3
InChIKeyWFZWYPJKGBQRMS-UHFFFAOYSA-N
MW197.30 g/mol
LogP-0.47
Rot. Bonds4

About dimethylazanium;pentane-1-sulfonate

dimethylazanium;pentane-1-sulfonate (PubChem CID 122481233) has the molecular formula C7H19NO3S and a molecular weight of 197.30 g/mol. Its IUPAC name is dimethylazanium;pentane-1-sulfonate.

Molecular Properties

Compound Namedimethylazanium;pentane-1-sulfonate
PubChem CID122481233
Molecular FormulaC7H19NO3S
Molecular Weight197.30 g/mol
Exact Mass197.11
IUPAC Namedimethylazanium;pentane-1-sulfonate
SMILESCCCCCS(=O)(=O)[O-].C[NH2+]C
InChIInChI=1S/C5H12O3S.C2H7N/c1-2-3-4-5-9(6,7)8;1-3-2/h2-5H2,1H3,(H,6,7,8);3H,1-2H3
InChIKeyWFZWYPJKGBQRMS-UHFFFAOYSA-N
XLogP-0.47
TPSA73.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

CID 21277428
CID 21277428
lithium hexane-1-sulfonate
CID 87141758
cesium hexane-1-sulfonate
CID 141317548
silver pentadecane-1-sulfonate
CID 102573896
silver decane-1-sulfonate
CID 18615614
sodium;pentane-1-sulfonate;hydrate
CID 23693099
tris(dodecane-1-sulfonate);ytterbium(3+)
CID 100979741
aluminum tris(octadecane-1-sulfonate)
CID 158491370
potassium tridecane-1-sulfonate
CID 23711351
sodium dodecane-1-sulfonate
CID 23665726
tris(heptane-1-sulfonate);lanthanum(3+)
CID 163364171
zinc bis(tetradecane-1-sulfonate)
CID 139716467

Frequently Asked Questions

What is the IUPAC name of dimethylazanium;pentane-1-sulfonate?
The IUPAC name of dimethylazanium;pentane-1-sulfonate (CID 122481233) is dimethylazanium;pentane-1-sulfonate.
What is the SMILES notation for dimethylazanium;pentane-1-sulfonate?
The canonical SMILES for dimethylazanium;pentane-1-sulfonate is CCCCCS(=O)(=O)[O-].C[NH2+]C.
What is the InChIKey of dimethylazanium;pentane-1-sulfonate?
The InChIKey is WFZWYPJKGBQRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3S.C2H7N/c1-2-3-4-5-9(6,7)8;1-3-2/h2-5H2,1H3,(H,6,7,8);3H,1-2H3.
What are the key properties of dimethylazanium;pentane-1-sulfonate?
dimethylazanium;pentane-1-sulfonate has a molecular weight of 197.30 g/mol, XLogP of -0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanium;pentane-1-sulfonate is sourced from PubChem (CID 122481233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).