N-(2-methylsulfanylethyl)-2-(2,2,2-trifluoroethylamino)acetamide

C7H13F3N2OS — CID 78957890

IUPACN-(2-methylsulfanylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCSCCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C7H13F3N2OS/c1-14-3-2-12-6(13)4-11-5-7(8,9)10/h11H,2-5H2,1H3,(H,12,13)
InChIKeyIEYJHUMPWJNWOI-UHFFFAOYSA-N
MW230.25 g/mol
LogP0.62
Rot. Bonds6

About N-(2-methylsulfanylethyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2-methylsulfanylethyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78957890) has the molecular formula C7H13F3N2OS and a molecular weight of 230.25 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78957890
Molecular FormulaC7H13F3N2OS
Molecular Weight230.25 g/mol
Exact Mass230.07
IUPAC NameN-(2-methylsulfanylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCSCCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C7H13F3N2OS/c1-14-3-2-12-6(13)4-11-5-7(8,9)10/h11H,2-5H2,1H3,(H,12,13)
InChIKeyIEYJHUMPWJNWOI-UHFFFAOYSA-N
XLogP0.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-methylsulfanylethyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78957890) is N-(2-methylsulfanylethyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-methylsulfanylethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-methylsulfanylethyl)-2-(2,2,2-trifluoroethylamino)acetamide is CSCCNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(2-methylsulfanylethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is IEYJHUMPWJNWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2OS/c1-14-3-2-12-6(13)4-11-5-7(8,9)10/h11H,2-5H2,1H3,(H,12,13).
What are the key properties of N-(2-methylsulfanylethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-methylsulfanylethyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 230.25 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78957890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).