octane-1-sulfonamide;oxido(propyl)azanium

C11H28N2O3S — CID 174903054

IUPACoctane-1-sulfonamide;oxido(propyl)azanium
SMILESCCCCCCCCS(N)(=O)=O.CCC[NH2+][O-]
InChIInChI=1S/C8H19NO2S.C3H9NO/c1-2-3-4-5-6-7-8-12(9,10)11;1-2-3-4-5/h2-8H2,1H3,(H2,9,10,11);2-4H2,1H3
InChIKeyWRZYDUMVKRUGBO-UHFFFAOYSA-N
MW268.42 g/mol
LogP1.09
Rot. Bonds9

About octane-1-sulfonamide;oxido(propyl)azanium

octane-1-sulfonamide;oxido(propyl)azanium (PubChem CID 174903054) has the molecular formula C11H28N2O3S and a molecular weight of 268.42 g/mol. Its IUPAC name is octane-1-sulfonamide;oxido(propyl)azanium.

Molecular Properties

Compound Nameoctane-1-sulfonamide;oxido(propyl)azanium
PubChem CID174903054
Molecular FormulaC11H28N2O3S
Molecular Weight268.42 g/mol
Exact Mass268.18
IUPAC Nameoctane-1-sulfonamide;oxido(propyl)azanium
SMILESCCCCCCCCS(N)(=O)=O.CCC[NH2+][O-]
InChIInChI=1S/C8H19NO2S.C3H9NO/c1-2-3-4-5-6-7-8-12(9,10)11;1-2-3-4-5/h2-8H2,1H3,(H2,9,10,11);2-4H2,1H3
InChIKeyWRZYDUMVKRUGBO-UHFFFAOYSA-N
XLogP1.09
TPSA99.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

pentacosane-1-sulfonamide
CID 149252389
octadecan-1-amine;oxido(propyl)azanium
CID 174613083
butane-1-sulfonamide;dihydrochloride
CID 140980497
CID 175918224
CID 175918224
dodecane-1,12-disulfonamide
CID 57288842
dotriacontyl(oxido)azanium
CID 141095067
oxido(pentylsulfonyl)azanium
CID 141093867
hexane;sulfamide
CID 87750585
silver decane-1-sulfonate
CID 18615614
silver pentadecane-1-sulfonate
CID 102573896
CID 21277428
CID 21277428
cesium hexane-1-sulfonate
CID 141317548

Frequently Asked Questions

What is the IUPAC name of octane-1-sulfonamide;oxido(propyl)azanium?
The IUPAC name of octane-1-sulfonamide;oxido(propyl)azanium (CID 174903054) is octane-1-sulfonamide;oxido(propyl)azanium.
What is the SMILES notation for octane-1-sulfonamide;oxido(propyl)azanium?
The canonical SMILES for octane-1-sulfonamide;oxido(propyl)azanium is CCCCCCCCS(N)(=O)=O.CCC[NH2+][O-].
What is the InChIKey of octane-1-sulfonamide;oxido(propyl)azanium?
The InChIKey is WRZYDUMVKRUGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S.C3H9NO/c1-2-3-4-5-6-7-8-12(9,10)11;1-2-3-4-5/h2-8H2,1H3,(H2,9,10,11);2-4H2,1H3.
What are the key properties of octane-1-sulfonamide;oxido(propyl)azanium?
octane-1-sulfonamide;oxido(propyl)azanium has a molecular weight of 268.42 g/mol, XLogP of 1.09, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octane-1-sulfonamide;oxido(propyl)azanium is sourced from PubChem (CID 174903054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).