2-amino-1-bromo-N,N-diethylethanesulfonamide

C6H15BrN2O2S — CID 25108049

IUPAC2-amino-1-bromo-N,N-diethylethanesulfonamide
SMILESCCN(CC)S(=O)(=O)C(Br)CN
InChIInChI=1S/C6H15BrN2O2S/c1-3-9(4-2)12(10,11)6(7)5-8/h6H,3-5,8H2,1-2H3
InChIKeyWMTHTKNHGXUJKP-UHFFFAOYSA-N
MW259.17 g/mol
LogP0.34
Rot. Bonds5

About 2-amino-1-bromo-N,N-diethylethanesulfonamide

2-amino-1-bromo-N,N-diethylethanesulfonamide (PubChem CID 25108049) has the molecular formula C6H15BrN2O2S and a molecular weight of 259.17 g/mol. Its IUPAC name is 2-amino-1-bromo-N,N-diethylethanesulfonamide.

Molecular Properties

Compound Name2-amino-1-bromo-N,N-diethylethanesulfonamide
PubChem CID25108049
Molecular FormulaC6H15BrN2O2S
Molecular Weight259.17 g/mol
Exact Mass258.00
IUPAC Name2-amino-1-bromo-N,N-diethylethanesulfonamide
SMILESCCN(CC)S(=O)(=O)C(Br)CN
InChIInChI=1S/C6H15BrN2O2S/c1-3-9(4-2)12(10,11)6(7)5-8/h6H,3-5,8H2,1-2H3
InChIKeyWMTHTKNHGXUJKP-UHFFFAOYSA-N
XLogP0.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-1-bromo-N,N-diethylethanesulfonamide 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 2-amino-1-bromo-N,N-diethylethanesulfonamide?
The IUPAC name of 2-amino-1-bromo-N,N-diethylethanesulfonamide (CID 25108049) is 2-amino-1-bromo-N,N-diethylethanesulfonamide.
What is the SMILES notation for 2-amino-1-bromo-N,N-diethylethanesulfonamide?
The canonical SMILES for 2-amino-1-bromo-N,N-diethylethanesulfonamide is CCN(CC)S(=O)(=O)C(Br)CN.
What is the InChIKey of 2-amino-1-bromo-N,N-diethylethanesulfonamide?
The InChIKey is WMTHTKNHGXUJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15BrN2O2S/c1-3-9(4-2)12(10,11)6(7)5-8/h6H,3-5,8H2,1-2H3.
What are the key properties of 2-amino-1-bromo-N,N-diethylethanesulfonamide?
2-amino-1-bromo-N,N-diethylethanesulfonamide has a molecular weight of 259.17 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-bromo-N,N-diethylethanesulfonamide is sourced from PubChem (CID 25108049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).