azanium decyl hydrogen sulfate

C10H26NO4S+ — CID 21115891

IUPACazanium decyl hydrogen sulfate
SMILESCCCCCCCCCCOS(=O)(=O)O.[NH4+]
InChIInChI=1S/C10H22O4S.H3N/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H,11,12,13);1H3/p+1
InChIKeyVPDKMELSVLIAOG-UHFFFAOYSA-O
MW256.39 g/mol
LogP3.32
Rot. Bonds10

About azanium decyl hydrogen sulfate

azanium decyl hydrogen sulfate (PubChem CID 21115891) has the molecular formula C10H26NO4S+ and a molecular weight of 256.39 g/mol. Its IUPAC name is azanium decyl hydrogen sulfate.

Molecular Properties

Compound Nameazanium decyl hydrogen sulfate
PubChem CID21115891
Molecular FormulaC10H26NO4S+
Molecular Weight256.39 g/mol
Exact Mass256.16
IUPAC Nameazanium decyl hydrogen sulfate
SMILESCCCCCCCCCCOS(=O)(=O)O.[NH4+]
InChIInChI=1S/C10H22O4S.H3N/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H,11,12,13);1H3/p+1
InChIKeyVPDKMELSVLIAOG-UHFFFAOYSA-O
XLogP3.32
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
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

decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197
Sodiumn-tridecylsulphate
CID 131877406
CID 87182380
CID 87182380
tridecyl hydrogen sulfate;hydrate
CID 88668618
alumane;octadecyl hydrogen sulfate
CID 175420064
magnesium icosyl hydrogen sulfate
CID 21125099
CID 170845374
CID 170845374
sodium;dodecyl hydrogen sulfate;hydride
CID 173193135
butyl hydrogen sulfate;heptane
CID 175360663
azane;N,N-dimethylmethanamine;octyl hydrogen sulfate
CID 174666846
potassium;dodecyl hydrogen sulfate;propane
CID 175112057
4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butyl hydrogen sulfate
CID 87407743

Frequently Asked Questions

What is the IUPAC name of azanium decyl hydrogen sulfate?
The IUPAC name of azanium decyl hydrogen sulfate (CID 21115891) is azanium decyl hydrogen sulfate.
What is the SMILES notation for azanium decyl hydrogen sulfate?
The canonical SMILES for azanium decyl hydrogen sulfate is CCCCCCCCCCOS(=O)(=O)O.[NH4+].
What is the InChIKey of azanium decyl hydrogen sulfate?
The InChIKey is VPDKMELSVLIAOG-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H22O4S.H3N/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H,11,12,13);1H3/p+1.
What are the key properties of azanium decyl hydrogen sulfate?
azanium decyl hydrogen sulfate has a molecular weight of 256.39 g/mol, XLogP of 3.32, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium decyl hydrogen sulfate is sourced from PubChem (CID 21115891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).