N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide

C7H13F3N2O3S — CID 107493590

IUPACN-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCS(=O)(=O)CC(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C7H13F3N2O3S/c1-16(14,15)4-6(13)12(3-2-11)5-7(8,9)10/h2-5,11H2,1H3
InChIKeyGBEJFQPQYDMVRH-UHFFFAOYSA-N
MW262.25 g/mol
LogP-0.62
Rot. Bonds5

About N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide

N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 107493590) has the molecular formula C7H13F3N2O3S and a molecular weight of 262.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID107493590
Molecular FormulaC7H13F3N2O3S
Molecular Weight262.25 g/mol
Exact Mass262.06
IUPAC NameN-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCS(=O)(=O)CC(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C7H13F3N2O3S/c1-16(14,15)4-6(13)12(3-2-11)5-7(8,9)10/h2-5,11H2,1H3
InChIKeyGBEJFQPQYDMVRH-UHFFFAOYSA-N
XLogP-0.62
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide 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 N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide (CID 107493590) is N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide is CS(=O)(=O)CC(=O)N(CCN)CC(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GBEJFQPQYDMVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O3S/c1-16(14,15)4-6(13)12(3-2-11)5-7(8,9)10/h2-5,11H2,1H3.
What are the key properties of N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 262.25 g/mol, XLogP of -0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 107493590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).