1,1-difluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide

C6H14F2N2O3S — CID 83040482

IUPAC1,1-difluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
SMILESCOCCNCCNS(=O)(=O)C(F)F
InChIInChI=1S/C6H14F2N2O3S/c1-13-5-4-9-2-3-10-14(11,12)6(7)8/h6,9-10H,2-5H2,1H3
InChIKeyWGDXJSPWJGMJEE-UHFFFAOYSA-N
MW232.25 g/mol
LogP-0.64
Rot. Bonds8

About 1,1-difluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide

1,1-difluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide (PubChem CID 83040482) has the molecular formula C6H14F2N2O3S and a molecular weight of 232.25 g/mol. Its IUPAC name is 1,1-difluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
PubChem CID83040482
Molecular FormulaC6H14F2N2O3S
Molecular Weight232.25 g/mol
Exact Mass232.07
IUPAC Name1,1-difluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
SMILESCOCCNCCNS(=O)(=O)C(F)F
InChIInChI=1S/C6H14F2N2O3S/c1-13-5-4-9-2-3-10-14(11,12)6(7)8/h6,9-10H,2-5H2,1H3
InChIKeyWGDXJSPWJGMJEE-UHFFFAOYSA-N
XLogP-0.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,1-difluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide 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 1,1-difluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide (CID 83040482) is 1,1-difluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide is COCCNCCNS(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide?
The InChIKey is WGDXJSPWJGMJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F2N2O3S/c1-13-5-4-9-2-3-10-14(11,12)6(7)8/h6,9-10H,2-5H2,1H3.
What are the key properties of 1,1-difluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide?
1,1-difluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide has a molecular weight of 232.25 g/mol, XLogP of -0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 83040482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).