8-(dimethylamino)octylsulfanyl hydrogen sulfate

C10H23NO4S2 — CID 141348794

IUPAC8-(dimethylamino)octylsulfanyl hydrogen sulfate
SMILESCN(C)CCCCCCCCSOS(=O)(=O)O
InChIInChI=1S/C10H23NO4S2/c1-11(2)9-7-5-3-4-6-8-10-16-15-17(12,13)14/h3-10H2,1-2H3,(H,12,13,14)
InChIKeyGOOYZSPUJOPUCG-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.36
Rot. Bonds11

About 8-(dimethylamino)octylsulfanyl hydrogen sulfate

8-(dimethylamino)octylsulfanyl hydrogen sulfate (PubChem CID 141348794) has the molecular formula C10H23NO4S2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 8-(dimethylamino)octylsulfanyl hydrogen sulfate.

Molecular Properties

Compound Name8-(dimethylamino)octylsulfanyl hydrogen sulfate
PubChem CID141348794
Molecular FormulaC10H23NO4S2
Molecular Weight285.43 g/mol
Exact Mass285.11
IUPAC Name8-(dimethylamino)octylsulfanyl hydrogen sulfate
SMILESCN(C)CCCCCCCCSOS(=O)(=O)O
InChIInChI=1S/C10H23NO4S2/c1-11(2)9-7-5-3-4-6-8-10-16-15-17(12,13)14/h3-10H2,1-2H3,(H,12,13,14)
InChIKeyGOOYZSPUJOPUCG-UHFFFAOYSA-N
XLogP2.36
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

9-aminononylsulfanyl hydrogen sulfate
CID 90150742
5-aminopentylsulfanyl hydrogen sulfate
CID 90150544
bis(N,N-dimethylnonadecan-1-amine);sulfuric acid
CID 175167546
[dihydroxy(oxo)-λ6-sulfanylidene]-[6-(dimethylamino)hexyl]sulfanium
CID 172712303
6-[6-(dimethylamino)hexyltetrasulfanyl]-N,N-dimethylhexan-1-amine
CID 139749120
N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999
N,N-dimethyl-4-methylsulfanylbutan-1-amine
CID 54463978
2-(dimethylamino)ethyl hydrogen sulfate
CID 12574414
N,N-dimethylbutan-1-amine;methanesulfonic acid
CID 174158325
N-[6-(dimethylamino)hexyl]-N-methylethenesulfonamide
CID 143744840
N,N-dimethylpropan-1-amine;methyl hydrogen sulfate
CID 174895397
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)octylsulfanyl hydrogen sulfate?
The IUPAC name of 8-(dimethylamino)octylsulfanyl hydrogen sulfate (CID 141348794) is 8-(dimethylamino)octylsulfanyl hydrogen sulfate.
What is the SMILES notation for 8-(dimethylamino)octylsulfanyl hydrogen sulfate?
The canonical SMILES for 8-(dimethylamino)octylsulfanyl hydrogen sulfate is CN(C)CCCCCCCCSOS(=O)(=O)O.
What is the InChIKey of 8-(dimethylamino)octylsulfanyl hydrogen sulfate?
The InChIKey is GOOYZSPUJOPUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4S2/c1-11(2)9-7-5-3-4-6-8-10-16-15-17(12,13)14/h3-10H2,1-2H3,(H,12,13,14).
What are the key properties of 8-(dimethylamino)octylsulfanyl hydrogen sulfate?
8-(dimethylamino)octylsulfanyl hydrogen sulfate has a molecular weight of 285.43 g/mol, XLogP of 2.36, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)octylsulfanyl hydrogen sulfate is sourced from PubChem (CID 141348794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).