N-(4-aminobutyl)propane-1-sulfonamide

C7H18N2O2S — CID 28754259

IUPACN-(4-aminobutyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCCN
InChIInChI=1S/C7H18N2O2S/c1-2-7-12(10,11)9-6-4-3-5-8/h9H,2-8H2,1H3
InChIKeyAIEANLJNCAXXKL-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.05
Rot. Bonds7

About N-(4-aminobutyl)propane-1-sulfonamide

N-(4-aminobutyl)propane-1-sulfonamide (PubChem CID 28754259) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N-(4-aminobutyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-aminobutyl)propane-1-sulfonamide
PubChem CID28754259
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC NameN-(4-aminobutyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCCN
InChIInChI=1S/C7H18N2O2S/c1-2-7-12(10,11)9-6-4-3-5-8/h9H,2-8H2,1H3
InChIKeyAIEANLJNCAXXKL-UHFFFAOYSA-N
XLogP0.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-aminobutyl)propane-1-sulfonamide 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 N-(4-aminobutyl)propane-1-sulfonamide?
The IUPAC name of N-(4-aminobutyl)propane-1-sulfonamide (CID 28754259) is N-(4-aminobutyl)propane-1-sulfonamide.
What is the SMILES notation for N-(4-aminobutyl)propane-1-sulfonamide?
The canonical SMILES for N-(4-aminobutyl)propane-1-sulfonamide is CCCS(=O)(=O)NCCCCN.
What is the InChIKey of N-(4-aminobutyl)propane-1-sulfonamide?
The InChIKey is AIEANLJNCAXXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-2-7-12(10,11)9-6-4-3-5-8/h9H,2-8H2,1H3.
What are the key properties of N-(4-aminobutyl)propane-1-sulfonamide?
N-(4-aminobutyl)propane-1-sulfonamide has a molecular weight of 194.30 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)propane-1-sulfonamide is sourced from PubChem (CID 28754259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).