N-prop-2-enyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide

C9H15F3N2OS — CID 106429195

IUPACN-prop-2-enyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide
SMILESC=CCNC(=O)C(C)NCCSC(F)(F)F
InChIInChI=1S/C9H15F3N2OS/c1-3-4-14-8(15)7(2)13-5-6-16-9(10,11)12/h3,7,13H,1,4-6H2,2H3,(H,14,15)
InChIKeyTWBSHGDFUNSTJJ-UHFFFAOYSA-N
MW256.29 g/mol
LogP1.52
Rot. Bonds7

About N-prop-2-enyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide

N-prop-2-enyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide (PubChem CID 106429195) has the molecular formula C9H15F3N2OS and a molecular weight of 256.29 g/mol. Its IUPAC name is N-prop-2-enyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide
PubChem CID106429195
Molecular FormulaC9H15F3N2OS
Molecular Weight256.29 g/mol
Exact Mass256.09
IUPAC NameN-prop-2-enyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide
SMILESC=CCNC(=O)C(C)NCCSC(F)(F)F
InChIInChI=1S/C9H15F3N2OS/c1-3-4-14-8(15)7(2)13-5-6-16-9(10,11)12/h3,7,13H,1,4-6H2,2H3,(H,14,15)
InChIKeyTWBSHGDFUNSTJJ-UHFFFAOYSA-N
XLogP1.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-acetamido-3-prop-2-enylsulfanylpropanamide
CID 88727895
N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)propanamide
CID 43089174
N-prop-2-enyl-2-(3,3,3-trifluoropropylamino)propanamide
CID 63226818
N-prop-2-enyl-2-(4,4,4-trifluorobutylamino)propanamide
CID 79040727
N-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide
CID 103108792
N-prop-2-enyl-2-(4,4,4-trifluorobutan-2-ylamino)propanamide
CID 105935437
2-(prop-2-enylamino)-N-(4,4,4-trifluorobutan-2-yl)acetamide
CID 105937346
N-prop-2-enyl-2-(2,2,3,3-tetrafluoropropylamino)propanamide
CID 106291572
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106380787
2-amino-3,3,3-trifluoro-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide
CID 106427357
2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 106428073
2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]pent-4-enamide
CID 106428231

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide?
The IUPAC name of N-prop-2-enyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide (CID 106429195) is N-prop-2-enyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide.
What is the SMILES notation for N-prop-2-enyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide?
The canonical SMILES for N-prop-2-enyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide is C=CCNC(=O)C(C)NCCSC(F)(F)F.
What is the InChIKey of N-prop-2-enyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide?
The InChIKey is TWBSHGDFUNSTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2OS/c1-3-4-14-8(15)7(2)13-5-6-16-9(10,11)12/h3,7,13H,1,4-6H2,2H3,(H,14,15).
What are the key properties of N-prop-2-enyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide?
N-prop-2-enyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide has a molecular weight of 256.29 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide is sourced from PubChem (CID 106429195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).