decane-1-sulfonate;pyridin-1-ium

C15H27NO3S — CID 122481242

IUPACdecane-1-sulfonate;pyridin-1-ium
SMILESCCCCCCCCCCS(=O)(=O)[O-].c1cc[nH+]cc1
InChIInChI=1S/C10H22O3S.C5H5N/c1-2-3-4-5-6-7-8-9-10-14(11,12)13;1-2-4-6-5-3-1/h2-10H2,1H3,(H,11,12,13);1-5H
InChIKeyUYSFYOPXPLIBQI-UHFFFAOYSA-N
MW301.45 g/mol
LogP3.17
Rot. Bonds9

About decane-1-sulfonate;pyridin-1-ium

decane-1-sulfonate;pyridin-1-ium (PubChem CID 122481242) has the molecular formula C15H27NO3S and a molecular weight of 301.45 g/mol. Its IUPAC name is decane-1-sulfonate;pyridin-1-ium.

Molecular Properties

Compound Namedecane-1-sulfonate;pyridin-1-ium
PubChem CID122481242
Molecular FormulaC15H27NO3S
Molecular Weight301.45 g/mol
Exact Mass301.17
IUPAC Namedecane-1-sulfonate;pyridin-1-ium
SMILESCCCCCCCCCCS(=O)(=O)[O-].c1cc[nH+]cc1
InChIInChI=1S/C10H22O3S.C5H5N/c1-2-3-4-5-6-7-8-9-10-14(11,12)13;1-2-4-6-5-3-1/h2-10H2,1H3,(H,11,12,13);1-5H
InChIKeyUYSFYOPXPLIBQI-UHFFFAOYSA-N
XLogP3.17
TPSA71.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
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

hexane-1-sulfonate;pyridin-1-ium
CID 122481615
sodium;benzene;dodecane-1-sulfonate
CID 87709853
CID 172823664
CID 172823664
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
8-fluorooctane-1-sulfonate;pyridin-1-ium
CID 122481072
aluminum tris(octadecane-1-sulfonate)
CID 158491370
tris(heptane-1-sulfonate);lanthanum(3+)
CID 163364171
tris(dodecane-1-sulfonate);ytterbium(3+)
CID 100979741

Frequently Asked Questions

What is the IUPAC name of decane-1-sulfonate;pyridin-1-ium?
The IUPAC name of decane-1-sulfonate;pyridin-1-ium (CID 122481242) is decane-1-sulfonate;pyridin-1-ium.
What is the SMILES notation for decane-1-sulfonate;pyridin-1-ium?
The canonical SMILES for decane-1-sulfonate;pyridin-1-ium is CCCCCCCCCCS(=O)(=O)[O-].c1cc[nH+]cc1.
What is the InChIKey of decane-1-sulfonate;pyridin-1-ium?
The InChIKey is UYSFYOPXPLIBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3S.C5H5N/c1-2-3-4-5-6-7-8-9-10-14(11,12)13;1-2-4-6-5-3-1/h2-10H2,1H3,(H,11,12,13);1-5H.
What are the key properties of decane-1-sulfonate;pyridin-1-ium?
decane-1-sulfonate;pyridin-1-ium has a molecular weight of 301.45 g/mol, XLogP of 3.17, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decane-1-sulfonate;pyridin-1-ium is sourced from PubChem (CID 122481242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).