2-amino-3,3,3-trifluoro-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide

C9H15F3N2OS — CID 106427357

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide
SMILESC=CCSCCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H15F3N2OS/c1-3-5-16-6-4-14-7(15)8(2,13)9(10,11)12/h3H,1,4-6,13H2,2H3,(H,14,15)
InChIKeyFAMOTKMHCOQCOX-UHFFFAOYSA-N
MW256.29 g/mol
LogP1.30
Rot. Bonds6

About 2-amino-3,3,3-trifluoro-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide (PubChem CID 106427357) has the molecular formula C9H15F3N2OS and a molecular weight of 256.29 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide
PubChem CID106427357
Molecular FormulaC9H15F3N2OS
Molecular Weight256.29 g/mol
Exact Mass256.09
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide
SMILESC=CCSCCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H15F3N2OS/c1-3-5-16-6-4-14-7(15)8(2,13)9(10,11)12/h3H,1,4-6,13H2,2H3,(H,14,15)
InChIKeyFAMOTKMHCOQCOX-UHFFFAOYSA-N
XLogP1.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 51.30
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

2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylsulfanylethyl)propanamide
CID 79811464
2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylsulfanylpropyl)propanamide
CID 79811578
2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
CID 103630060
2,2,3,3-tetrafluoro-N-(2-prop-2-enylsulfanylethyl)propanamide
CID 103733336
2-amino-3,3,3-trifluoro-2-methyl-N-(2-prop-2-ynylsulfanylethyl)propanamide
CID 106427653
2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 106428073
2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
CID 106428151
2-(prop-2-enylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
CID 106428307
N-prop-2-enyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide
CID 106429195
2,2,3,3,3-pentafluoro-N-(2-prop-2-enylsulfanylethyl)propanamide
CID 106433397
2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 113368482
2-amino-N-(4-ethylsulfanylbutan-2-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 113516154

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide (CID 106427357) is 2-amino-3,3,3-trifluoro-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide is C=CCSCCNC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide?
The InChIKey is FAMOTKMHCOQCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2OS/c1-3-5-16-6-4-14-7(15)8(2,13)9(10,11)12/h3H,1,4-6,13H2,2H3,(H,14,15).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide has a molecular weight of 256.29 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide is sourced from PubChem (CID 106427357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).