oxido(pentylsulfonyl)azanium

C5H13NO3S — CID 141093867

IUPACoxido(pentylsulfonyl)azanium
SMILESCCCCCS(=O)(=O)[NH2+][O-]
InChIInChI=1S/C5H13NO3S/c1-2-3-4-5-10(8,9)6-7/h2-6H2,1H3
InChIKeyDTJLQTVTFXYGGQ-UHFFFAOYSA-N
MW167.23 g/mol
LogP-0.43
Rot. Bonds5

About oxido(pentylsulfonyl)azanium

oxido(pentylsulfonyl)azanium (PubChem CID 141093867) has the molecular formula C5H13NO3S and a molecular weight of 167.23 g/mol. Its IUPAC name is oxido(pentylsulfonyl)azanium.

Molecular Properties

Compound Nameoxido(pentylsulfonyl)azanium
PubChem CID141093867
Molecular FormulaC5H13NO3S
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC Nameoxido(pentylsulfonyl)azanium
SMILESCCCCCS(=O)(=O)[NH2+][O-]
InChIInChI=1S/C5H13NO3S/c1-2-3-4-5-10(8,9)6-7/h2-6H2,1H3
InChIKeyDTJLQTVTFXYGGQ-UHFFFAOYSA-N
XLogP-0.43
TPSA73.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
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

dimethylazanium;pentane-1-sulfonate
CID 122481233
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
1-octylsulfonylnonane
CID 19089492
1-ethylsulfonylheptane
CID 19089519
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

Frequently Asked Questions

What is the IUPAC name of oxido(pentylsulfonyl)azanium?
The IUPAC name of oxido(pentylsulfonyl)azanium (CID 141093867) is oxido(pentylsulfonyl)azanium.
What is the SMILES notation for oxido(pentylsulfonyl)azanium?
The canonical SMILES for oxido(pentylsulfonyl)azanium is CCCCCS(=O)(=O)[NH2+][O-].
What is the InChIKey of oxido(pentylsulfonyl)azanium?
The InChIKey is DTJLQTVTFXYGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3S/c1-2-3-4-5-10(8,9)6-7/h2-6H2,1H3.
What are the key properties of oxido(pentylsulfonyl)azanium?
oxido(pentylsulfonyl)azanium has a molecular weight of 167.23 g/mol, XLogP of -0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxido(pentylsulfonyl)azanium is sourced from PubChem (CID 141093867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).