2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1-difluoroethane

C7H17F2N3O3S — CID 107493828

IUPAC2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1-difluoroethane
SMILESCOCCNS(=O)(=O)N(CCN)CC(F)F
InChIInChI=1S/C7H17F2N3O3S/c1-15-5-3-11-16(13,14)12(4-2-10)6-7(8)9/h7,11H,2-6,10H2,1H3
InChIKeyBSUVBBQROACKOR-UHFFFAOYSA-N
MW261.29 g/mol
LogP-1.01
Rot. Bonds9

About 2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1-difluoroethane

2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1-difluoroethane (PubChem CID 107493828) has the molecular formula C7H17F2N3O3S and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1-difluoroethane.

Molecular Properties

Compound Name2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1-difluoroethane
PubChem CID107493828
Molecular FormulaC7H17F2N3O3S
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC Name2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1-difluoroethane
SMILESCOCCNS(=O)(=O)N(CCN)CC(F)F
InChIInChI=1S/C7H17F2N3O3S/c1-15-5-3-11-16(13,14)12(4-2-10)6-7(8)9/h7,11H,2-6,10H2,1H3
InChIKeyBSUVBBQROACKOR-UHFFFAOYSA-N
XLogP-1.01
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1-difluoroethane with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-1-sulfonamide
CID 63829021
N-[2-[2-(trifluoromethoxy)ethylamino]ethyl]methanesulfonamide
CID 65805599
1,1,1-trifluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
CID 83039602
1,1-difluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
CID 83040482
N-(2-aminoethyl)-N-(2,2-difluoroethyl)morpholine-4-sulfonamide
CID 107493822
2-[2-Aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1,1-trifluoroethane
CID 107493915
N-(2-methoxyethyl)-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
CID 113637462
2-[[2-Aminoethyl(2-methoxyethyl)sulfamoyl]amino]-1,1,1-trifluoroethane
CID 113637720
N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide
CID 113966290
N-[2-(2,2-difluoroethoxy)ethyl]piperazine-1-sulfonamide
CID 114128349
2-[[2-(2-Aminoethoxy)ethyl-methylsulfamoyl]amino]-1,1,1-trifluoroethane
CID 114243748
2,2,2-trifluoro-N-(2-methoxyethylsulfamoyl)ethanamine
CID 114807146

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1-difluoroethane?
The IUPAC name of 2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1-difluoroethane (CID 107493828) is 2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1-difluoroethane.
What is the SMILES notation for 2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1-difluoroethane?
The canonical SMILES for 2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1-difluoroethane is COCCNS(=O)(=O)N(CCN)CC(F)F.
What is the InChIKey of 2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1-difluoroethane?
The InChIKey is BSUVBBQROACKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17F2N3O3S/c1-15-5-3-11-16(13,14)12(4-2-10)6-7(8)9/h7,11H,2-6,10H2,1H3.
What are the key properties of 2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1-difluoroethane?
2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1-difluoroethane has a molecular weight of 261.29 g/mol, XLogP of -1.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1-difluoroethane is sourced from PubChem (CID 107493828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).