N-[2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]thiophen-3-yl]acetamide

C10H13F3N2OS2 — CID 106427088

IUPACN-[2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCCSC(F)(F)F
InChIInChI=1S/C10H13F3N2OS2/c1-7(16)15-8-2-4-17-9(8)6-14-3-5-18-10(11,12)13/h2,4,14H,3,5-6H2,1H3,(H,15,16)
InChIKeyYEOKCYXJUUIAJK-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.05
Rot. Bonds6

About N-[2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]thiophen-3-yl]acetamide

N-[2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]thiophen-3-yl]acetamide (PubChem CID 106427088) has the molecular formula C10H13F3N2OS2 and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]thiophen-3-yl]acetamide
PubChem CID106427088
Molecular FormulaC10H13F3N2OS2
Molecular Weight298.36 g/mol
Exact Mass298.04
IUPAC NameN-[2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCCSC(F)(F)F
InChIInChI=1S/C10H13F3N2OS2/c1-7(16)15-8-2-4-17-9(8)6-14-3-5-18-10(11,12)13/h2,4,14H,3,5-6H2,1H3,(H,15,16)
InChIKeyYEOKCYXJUUIAJK-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]thiophen-3-yl]acetamide (CID 106427088) is N-[2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNCCSC(F)(F)F.
What is the InChIKey of N-[2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]thiophen-3-yl]acetamide?
The InChIKey is YEOKCYXJUUIAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS2/c1-7(16)15-8-2-4-17-9(8)6-14-3-5-18-10(11,12)13/h2,4,14H,3,5-6H2,1H3,(H,15,16).
What are the key properties of N-[2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]thiophen-3-yl]acetamide?
N-[2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]thiophen-3-yl]acetamide has a molecular weight of 298.36 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 106427088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).