4-amino-N-cyclobutyl-N-(3-morpholin-4-ylpropyl)butane-1-sulfonamide

C15H31N3O3S — CID 67015458

IUPAC4-amino-N-cyclobutyl-N-(3-morpholin-4-ylpropyl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)N(CCCN1CCOCC1)C1CCC1
InChIInChI=1S/C15H31N3O3S/c16-7-1-2-14-22(19,20)18(15-5-3-6-15)9-4-8-17-10-12-21-13-11-17/h15H,1-14,16H2
InChIKeyNNXZEENHICGULC-UHFFFAOYSA-N
MW333.50 g/mol
LogP0.63
Rot. Bonds10

About 4-amino-N-cyclobutyl-N-(3-morpholin-4-ylpropyl)butane-1-sulfonamide

4-amino-N-cyclobutyl-N-(3-morpholin-4-ylpropyl)butane-1-sulfonamide (PubChem CID 67015458) has the molecular formula C15H31N3O3S and a molecular weight of 333.50 g/mol. Its IUPAC name is 4-amino-N-cyclobutyl-N-(3-morpholin-4-ylpropyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-cyclobutyl-N-(3-morpholin-4-ylpropyl)butane-1-sulfonamide
PubChem CID67015458
Molecular FormulaC15H31N3O3S
Molecular Weight333.50 g/mol
Exact Mass333.21
IUPAC Name4-amino-N-cyclobutyl-N-(3-morpholin-4-ylpropyl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)N(CCCN1CCOCC1)C1CCC1
InChIInChI=1S/C15H31N3O3S/c16-7-1-2-14-22(19,20)18(15-5-3-6-15)9-4-8-17-10-12-21-13-11-17/h15H,1-14,16H2
InChIKeyNNXZEENHICGULC-UHFFFAOYSA-N
XLogP0.63
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-N-cyclobutyl-N-(3-morpholin-4-ylpropyl)butane-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 4-amino-N-cyclobutyl-N-(3-morpholin-4-ylpropyl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-cyclobutyl-N-(3-morpholin-4-ylpropyl)butane-1-sulfonamide (CID 67015458) is 4-amino-N-cyclobutyl-N-(3-morpholin-4-ylpropyl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-cyclobutyl-N-(3-morpholin-4-ylpropyl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-cyclobutyl-N-(3-morpholin-4-ylpropyl)butane-1-sulfonamide is NCCCCS(=O)(=O)N(CCCN1CCOCC1)C1CCC1.
What is the InChIKey of 4-amino-N-cyclobutyl-N-(3-morpholin-4-ylpropyl)butane-1-sulfonamide?
The InChIKey is NNXZEENHICGULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3S/c16-7-1-2-14-22(19,20)18(15-5-3-6-15)9-4-8-17-10-12-21-13-11-17/h15H,1-14,16H2.
What are the key properties of 4-amino-N-cyclobutyl-N-(3-morpholin-4-ylpropyl)butane-1-sulfonamide?
4-amino-N-cyclobutyl-N-(3-morpholin-4-ylpropyl)butane-1-sulfonamide has a molecular weight of 333.50 g/mol, XLogP of 0.63, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclobutyl-N-(3-morpholin-4-ylpropyl)butane-1-sulfonamide is sourced from PubChem (CID 67015458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).