2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide

C6H11F3N2OS — CID 103630043

IUPAC2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
SMILESCNCC(=O)NCCSC(F)(F)F
InChIInChI=1S/C6H11F3N2OS/c1-10-4-5(12)11-2-3-13-6(7,8)9/h10H,2-4H2,1H3,(H,11,12)
InChIKeyXDNOUTFMZHPQBA-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.57
Rot. Bonds5

About 2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide

2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide (PubChem CID 103630043) has the molecular formula C6H11F3N2OS and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
PubChem CID103630043
Molecular FormulaC6H11F3N2OS
Molecular Weight216.23 g/mol
Exact Mass216.05
IUPAC Name2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
SMILESCNCC(=O)NCCSC(F)(F)F
InChIInChI=1S/C6H11F3N2OS/c1-10-4-5(12)11-2-3-13-6(7,8)9/h10H,2-4H2,1H3,(H,11,12)
InChIKeyXDNOUTFMZHPQBA-UHFFFAOYSA-N
XLogP0.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.57
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-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide (CID 103630043) is 2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide is CNCC(=O)NCCSC(F)(F)F.
What is the InChIKey of 2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The InChIKey is XDNOUTFMZHPQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2OS/c1-10-4-5(12)11-2-3-13-6(7,8)9/h10H,2-4H2,1H3,(H,11,12).
What are the key properties of 2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide has a molecular weight of 216.23 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 103630043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).