3-amino-2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide

C7H13F3N2O2S — CID 106428200

IUPAC3-amino-2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
SMILESCOC(CN)C(=O)NCCSC(F)(F)F
InChIInChI=1S/C7H13F3N2O2S/c1-14-5(4-11)6(13)12-2-3-15-7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13)
InChIKeyBOWBETVUGMLWLP-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.33
Rot. Bonds6

About 3-amino-2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide

3-amino-2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide (PubChem CID 106428200) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
PubChem CID106428200
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC Name3-amino-2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
SMILESCOC(CN)C(=O)NCCSC(F)(F)F
InChIInChI=1S/C7H13F3N2O2S/c1-14-5(4-11)6(13)12-2-3-15-7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13)
InChIKeyBOWBETVUGMLWLP-UHFFFAOYSA-N
XLogP0.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide
CID 89245063
2-(2-aminoethoxy)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
CID 103809171
N-[2-(trifluoromethylsulfanyl)ethyl]morpholine-2-carboxamide
CID 103809187
3-amino-2-methoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 106111170
3-amino-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
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3-amino-2-methoxy-N-(3,3,3-trifluoropropyl)propanamide
CID 106112839
3-amino-2-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 106112903
3-amino-N-(2,2-difluoroethyl)-2-methoxypropanamide
CID 106113404
3-amino-2-methoxy-N-(4,4,4-trifluorobutyl)propanamide
CID 106113423
3-amino-N-(2,2-difluoroethyl)-2-methoxy-N-methylpropanamide
CID 106113856
2-Hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide
CID 106174926
3-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)propanamide
CID 106291651

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
The IUPAC name of 3-amino-2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide (CID 106428200) is 3-amino-2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide is COC(CN)C(=O)NCCSC(F)(F)F.
What is the InChIKey of 3-amino-2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
The InChIKey is BOWBETVUGMLWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c1-14-5(4-11)6(13)12-2-3-15-7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13).
What are the key properties of 3-amino-2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
3-amino-2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide has a molecular weight of 246.25 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide is sourced from PubChem (CID 106428200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).