ethyl 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetate

C10H18F3NO2S — CID 116617418

IUPACethyl 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetate
SMILESCCCN(CCSC(F)(F)F)CC(=O)OCC
InChIInChI=1S/C10H18F3NO2S/c1-3-5-14(8-9(15)16-4-2)6-7-17-10(11,12)13/h3-8H2,1-2H3
InChIKeyHBNPWTHVQYHVKN-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.51
Rot. Bonds8

About ethyl 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetate

ethyl 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetate (PubChem CID 116617418) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is ethyl 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetate
PubChem CID116617418
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC Nameethyl 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetate
SMILESCCCN(CCSC(F)(F)F)CC(=O)OCC
InChIInChI=1S/C10H18F3NO2S/c1-3-5-14(8-9(15)16-4-2)6-7-17-10(11,12)13/h3-8H2,1-2H3
InChIKeyHBNPWTHVQYHVKN-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetic acid
CID 116616761
ethyl 6-(trifluoromethylsulfanyl)hexanoate
CID 122376065
ethyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 62229761
methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate
CID 62027143
ethyl 4-oxo-7-(trifluoromethylsulfanyl)heptanoate
CID 116627027
N-(2-chloroethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
CID 116618077
ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate
CID 60965392
ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate
CID 11368942
ethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate
CID 102349258
ethyl 2-[(3-ethoxy-2-hydroxypropyl)-propylamino]acetate
CID 63932802
ethyl 2-[(4-chloro-2-fluorophenyl)methyl-propylamino]acetate
CID 114857982
ethyl 2-[cyclohexylmethyl(propyl)amino]acetate
CID 61238525

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetate?
The IUPAC name of ethyl 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetate (CID 116617418) is ethyl 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetate?
The canonical SMILES for ethyl 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetate is CCCN(CCSC(F)(F)F)CC(=O)OCC.
What is the InChIKey of ethyl 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetate?
The InChIKey is HBNPWTHVQYHVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c1-3-5-14(8-9(15)16-4-2)6-7-17-10(11,12)13/h3-8H2,1-2H3.
What are the key properties of ethyl 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetate?
ethyl 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetate has a molecular weight of 273.32 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetate is sourced from PubChem (CID 116617418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).