(1S)-1-cyclohexyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

C11H20F3NS — CID 104891282

IUPAC(1S)-1-cyclohexyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESC[C@H](NCCSC(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H20F3NS/c1-9(10-5-3-2-4-6-10)15-7-8-16-11(12,13)14/h9-10,15H,2-8H2,1H3/t9-/m0/s1
InChIKeyVNGDUGFDXCXAMH-VIFPVBQESA-N
MW255.35 g/mol
LogP3.80
Rot. Bonds5

About (1S)-1-cyclohexyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

(1S)-1-cyclohexyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (PubChem CID 104891282) has the molecular formula C11H20F3NS and a molecular weight of 255.35 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
PubChem CID104891282
Molecular FormulaC11H20F3NS
Molecular Weight255.35 g/mol
Exact Mass255.13
IUPAC Name(1S)-1-cyclohexyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESC[C@H](NCCSC(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H20F3NS/c1-9(10-5-3-2-4-6-10)15-7-8-16-11(12,13)14/h9-10,15H,2-8H2,1H3/t9-/m0/s1
InChIKeyVNGDUGFDXCXAMH-VIFPVBQESA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1S)-1-cyclohexyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The IUPAC name of (1S)-1-cyclohexyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (CID 104891282) is (1S)-1-cyclohexyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-cyclohexyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is C[C@H](NCCSC(F)(F)F)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The InChIKey is VNGDUGFDXCXAMH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20F3NS/c1-9(10-5-3-2-4-6-10)15-7-8-16-11(12,13)14/h9-10,15H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
(1S)-1-cyclohexyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine has a molecular weight of 255.35 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 104891282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).