2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide

C9H15F3N2OS — CID 106428073

IUPAC2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESC=CCSCCNCC(=O)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2OS/c1-2-4-16-5-3-13-6-8(15)14-7-9(10,11)12/h2,13H,1,3-7H2,(H,14,15)
InChIKeyRVLGJULSYZRYNG-UHFFFAOYSA-N
MW256.29 g/mol
LogP1.17
Rot. Bonds8

About 2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 106428073) has the molecular formula C9H15F3N2OS and a molecular weight of 256.29 g/mol. Its IUPAC name is 2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID106428073
Molecular FormulaC9H15F3N2OS
Molecular Weight256.29 g/mol
Exact Mass256.09
IUPAC Name2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESC=CCSCCNCC(=O)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2OS/c1-2-4-16-5-3-13-6-8(15)14-7-9(10,11)12/h2,13H,1,3-7H2,(H,14,15)
InChIKeyRVLGJULSYZRYNG-UHFFFAOYSA-N
XLogP1.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 51.17
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-(2-prop-2-enylsulfanylethylamino)-N-propylacetamide
CID 106427805
N-(2-cyanoethyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide
CID 106427808
3-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoic acid
CID 43466550
2-(4-hydroxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 106841650
2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646688
methyl 2,2-dimethyl-3-(2-prop-2-enylsulfanylethylamino)propanoate
CID 106427471
(Z)-3-methyl-4-(2-prop-2-enylsulfanylethylamino)but-2-enoic acid
CID 106429888
3-(2-prop-2-enylsulfanylethylamino)propanoic acid
CID 106427665
2-(2-ethylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 114110989
4-chloro-3-[[2-(2-prop-2-enylsulfanylethylamino)acetyl]amino]benzoic acid
CID 106429885
N-prop-2-enyl-2-(propylamino)acetamide
CID 54819030
2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 115325811

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 106428073) is 2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide is C=CCSCCNCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RVLGJULSYZRYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2OS/c1-2-4-16-5-3-13-6-8(15)14-7-9(10,11)12/h2,13H,1,3-7H2,(H,14,15).
What are the key properties of 2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 256.29 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 106428073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).