bis(4-aminobutan-1-ol);sulfuric acid

C8H24N2O6S — CID 173320619

IUPACbis(4-aminobutan-1-ol);sulfuric acid
SMILESNCCCCO.NCCCCO.O=S(=O)(O)O
InChIInChI=1S/2C4H11NO.H2O4S/c2*5-3-1-2-4-6;1-5(2,3)4/h2*6H,1-5H2;(H2,1,2,3,4)
InChIKeyUZCZWIKDCJGHDQ-UHFFFAOYSA-N
MW276.35 g/mol
LogP-1.22
Rot. Bonds6

About bis(4-aminobutan-1-ol);sulfuric acid

bis(4-aminobutan-1-ol);sulfuric acid (PubChem CID 173320619) has the molecular formula C8H24N2O6S and a molecular weight of 276.35 g/mol. Its IUPAC name is bis(4-aminobutan-1-ol);sulfuric acid.

Molecular Properties

Compound Namebis(4-aminobutan-1-ol);sulfuric acid
PubChem CID173320619
Molecular FormulaC8H24N2O6S
Molecular Weight276.35 g/mol
Exact Mass276.14
IUPAC Namebis(4-aminobutan-1-ol);sulfuric acid
SMILESNCCCCO.NCCCCO.O=S(=O)(O)O
InChIInChI=1S/2C4H11NO.H2O4S/c2*5-3-1-2-4-6;1-5(2,3)4/h2*6H,1-5H2;(H2,1,2,3,4)
InChIKeyUZCZWIKDCJGHDQ-UHFFFAOYSA-N
XLogP-1.22
TPSA167.10 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.35
LogP ≤ 5-1.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(4-aminobutan-1-ol);sulfuric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(4-aminobutan-1-ol);sulfuric acid?
The IUPAC name of bis(4-aminobutan-1-ol);sulfuric acid (CID 173320619) is bis(4-aminobutan-1-ol);sulfuric acid.
What is the SMILES notation for bis(4-aminobutan-1-ol);sulfuric acid?
The canonical SMILES for bis(4-aminobutan-1-ol);sulfuric acid is NCCCCO.NCCCCO.O=S(=O)(O)O.
What is the InChIKey of bis(4-aminobutan-1-ol);sulfuric acid?
The InChIKey is UZCZWIKDCJGHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H11NO.H2O4S/c2*5-3-1-2-4-6;1-5(2,3)4/h2*6H,1-5H2;(H2,1,2,3,4).
What are the key properties of bis(4-aminobutan-1-ol);sulfuric acid?
bis(4-aminobutan-1-ol);sulfuric acid has a molecular weight of 276.35 g/mol, XLogP of -1.22, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-aminobutan-1-ol);sulfuric acid is sourced from PubChem (CID 173320619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).