1-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

C11H21F3N2S — CID 103778147

IUPAC1-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESCC(NCCSC(F)(F)F)C1CCCN(C)C1
InChIInChI=1S/C11H21F3N2S/c1-9(10-4-3-6-16(2)8-10)15-5-7-17-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyOUTBXRVPEIYGFY-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.56
Rot. Bonds5

About 1-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

1-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (PubChem CID 103778147) has the molecular formula C11H21F3N2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
PubChem CID103778147
Molecular FormulaC11H21F3N2S
Molecular Weight270.36 g/mol
Exact Mass270.14
IUPAC Name1-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESCC(NCCSC(F)(F)F)C1CCCN(C)C1
InChIInChI=1S/C11H21F3N2S/c1-9(10-4-3-6-16(2)8-10)15-5-7-17-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyOUTBXRVPEIYGFY-UHFFFAOYSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
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 1-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The IUPAC name of 1-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (CID 103778147) is 1-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 1-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 1-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is CC(NCCSC(F)(F)F)C1CCCN(C)C1.
What is the InChIKey of 1-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The InChIKey is OUTBXRVPEIYGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2S/c1-9(10-4-3-6-16(2)8-10)15-5-7-17-11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 1-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
1-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine has a molecular weight of 270.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 103778147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).