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

C10H19F3N2S — CID 116615491

IUPACN-[(1-methylpiperidin-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
SMILESCN1CCCCC1CNCCSC(F)(F)F
InChIInChI=1S/C10H19F3N2S/c1-15-6-3-2-4-9(15)8-14-5-7-16-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyVPYIKWXBKWKJOX-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.31
Rot. Bonds5

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

N-[(1-methylpiperidin-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine (PubChem CID 116615491) has the molecular formula C10H19F3N2S and a molecular weight of 256.34 g/mol. Its IUPAC name is N-[(1-methylpiperidin-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
PubChem CID116615491
Molecular FormulaC10H19F3N2S
Molecular Weight256.34 g/mol
Exact Mass256.12
IUPAC NameN-[(1-methylpiperidin-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
SMILESCN1CCCCC1CNCCSC(F)(F)F
InChIInChI=1S/C10H19F3N2S/c1-15-6-3-2-4-9(15)8-14-5-7-16-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyVPYIKWXBKWKJOX-UHFFFAOYSA-N
XLogP2.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.31
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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Related Compounds

2,2-difluoro-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 53873123
2,2,2-trifluoro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 67947318
N-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 134514969
1-[4-(2,2,2-Trifluoroethylamino)piperidin-1-yl]ethanethiol
CID 138626116
1-[(2S)-4,4-difluoropiperidin-2-yl]-N,N-dimethylmethanamine
CID 155100899
1-[(4S)-3,3-difluoro-4-(methylamino)piperidin-1-yl]ethanethiol
CID 156418561
cis-(1S,6S)-6-(1-ethylpiperidin-4-yl)sulfanyl-2,2-difluorocyclohexan-1-amine
CID 156429579
cis-(1S,6S)-2,2-difluoro-6-(1-propan-2-ylpiperidin-4-yl)sulfanylcyclohexan-1-amine
CID 156745956
(4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine
CID 166682652
N-[(4,4-difluoro-1-propylpiperidin-2-yl)methyl]propan-2-amine
CID 170709220
1-(5,5-difluoropiperidin-2-yl)-N,N-dimethylmethanamine
CID 176992551
4-Methylsulfanyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine
CID 60810555

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine?
The IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine (CID 116615491) is N-[(1-methylpiperidin-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine.
What is the SMILES notation for N-[(1-methylpiperidin-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine?
The canonical SMILES for N-[(1-methylpiperidin-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine is CN1CCCCC1CNCCSC(F)(F)F.
What is the InChIKey of N-[(1-methylpiperidin-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine?
The InChIKey is VPYIKWXBKWKJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2S/c1-15-6-3-2-4-9(15)8-14-5-7-16-10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of N-[(1-methylpiperidin-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine?
N-[(1-methylpiperidin-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine has a molecular weight of 256.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine is sourced from PubChem (CID 116615491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).