N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine

C10H14F3NS2 — CID 103765794

IUPACN-[(2,5-dimethylthiophen-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
SMILESCc1cc(CNCCSC(F)(F)F)c(C)s1
InChIInChI=1S/C10H14F3NS2/c1-7-5-9(8(2)16-7)6-14-3-4-15-10(11,12)13/h5,14H,3-4,6H2,1-2H3
InChIKeyBMHVWVAUUQBHBD-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.71
Rot. Bonds5

About N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine

N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine (PubChem CID 103765794) has the molecular formula C10H14F3NS2 and a molecular weight of 269.36 g/mol. Its IUPAC name is N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylthiophen-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
PubChem CID103765794
Molecular FormulaC10H14F3NS2
Molecular Weight269.36 g/mol
Exact Mass269.05
IUPAC NameN-[(2,5-dimethylthiophen-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
SMILESCc1cc(CNCCSC(F)(F)F)c(C)s1
InChIInChI=1S/C10H14F3NS2/c1-7-5-9(8(2)16-7)6-14-3-4-15-10(11,12)13/h5,14H,3-4,6H2,1-2H3
InChIKeyBMHVWVAUUQBHBD-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 115584884
N-[(4-methylthiophen-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 116615669
N-[(4-chloro-2-methylphenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106427292
4-[(2,5-dimethylthiophen-3-yl)methylamino]butan-2-ol
CID 64911526
N-[(2-ethylphenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 116615591
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 103851304
N-[(2,5-dimethylthiophen-3-yl)methyl]-4-(trifluoromethylsulfanyl)aniline
CID 63443500
N-[(3-methylthiophen-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 115584881
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79763664
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115697446
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-piperidin-1-ylethanamine
CID 54976929
N-[(2,5-dimethylthiophen-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 54977715

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine?
The IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine (CID 103765794) is N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine.
What is the SMILES notation for N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine?
The canonical SMILES for N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine is Cc1cc(CNCCSC(F)(F)F)c(C)s1.
What is the InChIKey of N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine?
The InChIKey is BMHVWVAUUQBHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NS2/c1-7-5-9(8(2)16-7)6-14-3-4-15-10(11,12)13/h5,14H,3-4,6H2,1-2H3.
What are the key properties of N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine?
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine has a molecular weight of 269.36 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine is sourced from PubChem (CID 103765794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).