2-(2-methylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide

C7H13F3N2OS — CID 60646871

IUPAC2-(2-methylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCSCCNCC(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2OS/c1-14-3-2-11-4-6(13)12-5-7(8,9)10/h11H,2-5H2,1H3,(H,12,13)
InChIKeyGNIMQTZMMVNOND-UHFFFAOYSA-N
MW230.25 g/mol
LogP0.62
Rot. Bonds6

About 2-(2-methylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-methylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60646871) has the molecular formula C7H13F3N2OS and a molecular weight of 230.25 g/mol. Its IUPAC name is 2-(2-methylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-methylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60646871
Molecular FormulaC7H13F3N2OS
Molecular Weight230.25 g/mol
Exact Mass230.07
IUPAC Name2-(2-methylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCSCCNCC(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2OS/c1-14-3-2-11-4-6(13)12-5-7(8,9)10/h11H,2-5H2,1H3,(H,12,13)
InChIKeyGNIMQTZMMVNOND-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 2-(2-methylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-methylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 60646871) is 2-(2-methylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-methylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-methylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide is CSCCNCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-methylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GNIMQTZMMVNOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2OS/c1-14-3-2-11-4-6(13)12-5-7(8,9)10/h11H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-(2-methylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-methylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)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 2-(2-methylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60646871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).