8-aminooctane-1-sulfonic acid

C8H19NO3S — CID 22026961

IUPAC8-aminooctane-1-sulfonic acid
SMILESNCCCCCCCCS(=O)(=O)O
InChIInChI=1S/C8H19NO3S/c9-7-5-3-1-2-4-6-8-13(10,11)12/h1-9H2,(H,10,11,12)
InChIKeyRJZHUKNOHFDIFS-UHFFFAOYSA-N
MW209.31 g/mol
LogP1.17
Rot. Bonds8

About 8-aminooctane-1-sulfonic acid

8-aminooctane-1-sulfonic acid (PubChem CID 22026961) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is 8-aminooctane-1-sulfonic acid.

Molecular Properties

Compound Name8-aminooctane-1-sulfonic acid
PubChem CID22026961
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Name8-aminooctane-1-sulfonic acid
SMILESNCCCCCCCCS(=O)(=O)O
InChIInChI=1S/C8H19NO3S/c9-7-5-3-1-2-4-6-8-13(10,11)12/h1-9H2,(H,10,11,12)
InChIKeyRJZHUKNOHFDIFS-UHFFFAOYSA-N
XLogP1.17
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 51.17
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

5-Aminopentanesulfonic acid
CID 169850
9-(Methylsulfonyl)nonylamine
CID 101417644
10-Aminodecanesulfonic acid
CID 10354160
Ethanesulfonic acid, 2-(dodecylamino)-
CID 4364263
6-Amino-1-hexanesulfonic acid
CID 11480823
N-Ethyl-1-octanesulfonamide
CID 15398682
N-ethyldodecanesulfonamide
CID 85832849
Dodecylammonium methanesulfonate
CID 87864024
Hexyl-3-aminopropanesulfonic acid
CID 129776958
Myristyl ammonium propane sulphonate
CID 129867811
Ammoniumheptansulfonat
CID 129889847
Dodecan-1-amine;methanesulfonic acid
CID 71406203

Frequently Asked Questions

What is the IUPAC name of 8-aminooctane-1-sulfonic acid?
The IUPAC name of 8-aminooctane-1-sulfonic acid (CID 22026961) is 8-aminooctane-1-sulfonic acid.
What is the SMILES notation for 8-aminooctane-1-sulfonic acid?
The canonical SMILES for 8-aminooctane-1-sulfonic acid is NCCCCCCCCS(=O)(=O)O.
What is the InChIKey of 8-aminooctane-1-sulfonic acid?
The InChIKey is RJZHUKNOHFDIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c9-7-5-3-1-2-4-6-8-13(10,11)12/h1-9H2,(H,10,11,12).
What are the key properties of 8-aminooctane-1-sulfonic acid?
8-aminooctane-1-sulfonic acid has a molecular weight of 209.31 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-aminooctane-1-sulfonic acid is sourced from PubChem (CID 22026961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).