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

C10H17F3N2OS — CID 113368482

IUPAC2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESC=CCSCCNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2OS/c1-3-5-17-6-4-14-8(2)9(16)15-7-10(11,12)13/h3,8,14H,1,4-7H2,2H3,(H,15,16)
InChIKeyLHUBQWSMEVEUPG-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.56
Rot. Bonds8

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

2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 113368482) has the molecular formula C10H17F3N2OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID113368482
Molecular FormulaC10H17F3N2OS
Molecular Weight270.32 g/mol
Exact Mass270.10
IUPAC Name2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESC=CCSCCNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2OS/c1-3-5-17-6-4-14-8(2)9(16)15-7-10(11,12)13/h3,8,14H,1,4-7H2,2H3,(H,15,16)
InChIKeyLHUBQWSMEVEUPG-UHFFFAOYSA-N
XLogP1.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.56
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 113368482) is 2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)propanamide is C=CCSCCNC(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is LHUBQWSMEVEUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2OS/c1-3-5-17-6-4-14-8(2)9(16)15-7-10(11,12)13/h3,8,14H,1,4-7H2,2H3,(H,15,16).
What are the key properties of 2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 270.32 g/mol, XLogP of 1.56, 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)propanamide is sourced from PubChem (CID 113368482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).