methyl 3-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate

C8H14F3NO4S — CID 64584749

IUPACmethyl 3-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCCS(=O)(=O)N(CCC(=O)OC)CC(F)(F)F
InChIInChI=1S/C8H14F3NO4S/c1-3-17(14,15)12(6-8(9,10)11)5-4-7(13)16-2/h3-6H2,1-2H3
InChIKeyHYWRJMAZNMIGQX-UHFFFAOYSA-N
MW277.26 g/mol
LogP0.76
Rot. Bonds6

About methyl 3-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate

methyl 3-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate (PubChem CID 64584749) has the molecular formula C8H14F3NO4S and a molecular weight of 277.26 g/mol. Its IUPAC name is methyl 3-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate
PubChem CID64584749
Molecular FormulaC8H14F3NO4S
Molecular Weight277.26 g/mol
Exact Mass277.06
IUPAC Namemethyl 3-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCCS(=O)(=O)N(CCC(=O)OC)CC(F)(F)F
InChIInChI=1S/C8H14F3NO4S/c1-3-17(14,15)12(6-8(9,10)11)5-4-7(13)16-2/h3-6H2,1-2H3
InChIKeyHYWRJMAZNMIGQX-UHFFFAOYSA-N
XLogP0.76
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate 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

3-[Methyl(1,1,2,2,3-pentafluoropropylsulfonyl)amino]propanoate
CID 141668269
Methyl 2-[bis(2-fluoroethyl)sulfamoyl]acetate
CID 163617657
Ethyl 3-[methyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]propanoate
CID 175368877
2-[3-Ethoxypropyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 54876265
Methyl 3-[3-chloropropylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 54877283
Methyl 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 54952486
Methyl 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 55011712
Methyl 3-[difluoromethylsulfonyl(ethyl)amino]propanoate
CID 55029001
Ethyl 3-[difluoromethylsulfonyl(methyl)amino]propanoate
CID 55207544
Methyl 3-[chloromethylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 55245830
3-[3-Ethoxypropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60951585
2-[(3-Methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60951737

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate?
The IUPAC name of methyl 3-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate (CID 64584749) is methyl 3-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate is CCS(=O)(=O)N(CCC(=O)OC)CC(F)(F)F.
What is the InChIKey of methyl 3-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate?
The InChIKey is HYWRJMAZNMIGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO4S/c1-3-17(14,15)12(6-8(9,10)11)5-4-7(13)16-2/h3-6H2,1-2H3.
What are the key properties of methyl 3-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate?
methyl 3-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate has a molecular weight of 277.26 g/mol, XLogP of 0.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate is sourced from PubChem (CID 64584749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).