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

C7H16F3N3O3S — CID 107493915

IUPAC2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1,1-trifluoroethane
SMILESCOCCNS(=O)(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C7H16F3N3O3S/c1-16-5-3-12-17(14,15)13(4-2-11)6-7(8,9)10/h12H,2-6,11H2,1H3
InChIKeyXVKOXSRMKMSUPL-UHFFFAOYSA-N
MW279.28 g/mol
LogP-0.71
Rot. Bonds8

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

2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1,1-trifluoroethane (PubChem CID 107493915) has the molecular formula C7H16F3N3O3S and a molecular weight of 279.28 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1,1-trifluoroethane
PubChem CID107493915
Molecular FormulaC7H16F3N3O3S
Molecular Weight279.28 g/mol
Exact Mass279.09
IUPAC Name2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1,1-trifluoroethane
SMILESCOCCNS(=O)(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C7H16F3N3O3S/c1-16-5-3-12-17(14,15)13(4-2-11)6-7(8,9)10/h12H,2-6,11H2,1H3
InChIKeyXVKOXSRMKMSUPL-UHFFFAOYSA-N
XLogP-0.71
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 5-0.71
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]-1,1,1-trifluoroethane 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-difluoroethane
CID 107493828
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]-1,1,1-trifluoroethane?
The IUPAC name of 2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1,1-trifluoroethane (CID 107493915) is 2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1,1-trifluoroethane.
What is the SMILES notation for 2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1,1-trifluoroethane?
The canonical SMILES for 2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1,1-trifluoroethane is COCCNS(=O)(=O)N(CCN)CC(F)(F)F.
What is the InChIKey of 2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1,1-trifluoroethane?
The InChIKey is XVKOXSRMKMSUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F3N3O3S/c1-16-5-3-12-17(14,15)13(4-2-11)6-7(8,9)10/h12H,2-6,11H2,1H3.
What are the key properties of 2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1,1-trifluoroethane?
2-[2-aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1,1-trifluoroethane has a molecular weight of 279.28 g/mol, XLogP of -0.71, 8 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]-1,1,1-trifluoroethane is sourced from PubChem (CID 107493915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).