N-methyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine

C10H19F3N2S — CID 106635519

IUPACN-methyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
SMILESCN(CCSC(F)(F)F)CC1CCCCN1
InChIInChI=1S/C10H19F3N2S/c1-15(6-7-16-10(11,12)13)8-9-4-2-3-5-14-9/h9,14H,2-8H2,1H3
InChIKeyVMSSERALDUCKLF-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.31
Rot. Bonds5

About N-methyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine

N-methyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine (PubChem CID 106635519) has the molecular formula C10H19F3N2S and a molecular weight of 256.34 g/mol. Its IUPAC name is N-methyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-methyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
PubChem CID106635519
Molecular FormulaC10H19F3N2S
Molecular Weight256.34 g/mol
Exact Mass256.12
IUPAC NameN-methyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
SMILESCN(CCSC(F)(F)F)CC1CCCCN1
InChIInChI=1S/C10H19F3N2S/c1-15(6-7-16-10(11,12)13)8-9-4-2-3-5-14-9/h9,14H,2-8H2,1H3
InChIKeyVMSSERALDUCKLF-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

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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-methyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine?
The IUPAC name of N-methyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine (CID 106635519) is N-methyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine.
What is the SMILES notation for N-methyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine?
The canonical SMILES for N-methyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine is CN(CCSC(F)(F)F)CC1CCCCN1.
What is the InChIKey of N-methyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine?
The InChIKey is VMSSERALDUCKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2S/c1-15(6-7-16-10(11,12)13)8-9-4-2-3-5-14-9/h9,14H,2-8H2,1H3.
What are the key properties of N-methyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine?
N-methyl-N-(piperidin-2-ylmethyl)-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-methyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine is sourced from PubChem (CID 106635519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).