N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]propan-2-amine

C12H23F3N2S — CID 116616240

IUPACN-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCN1CCSC(F)(F)F
InChIInChI=1S/C12H23F3N2S/c1-10(2)16-9-11-5-3-4-6-17(11)7-8-18-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyVZBLTAZBRRBUBA-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.09
Rot. Bonds6

About N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]propan-2-amine

N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]propan-2-amine (PubChem CID 116616240) has the molecular formula C12H23F3N2S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]propan-2-amine
PubChem CID116616240
Molecular FormulaC12H23F3N2S
Molecular Weight284.39 g/mol
Exact Mass284.15
IUPAC NameN-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCN1CCSC(F)(F)F
InChIInChI=1S/C12H23F3N2S/c1-10(2)16-9-11-5-3-4-6-17(11)7-8-18-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyVZBLTAZBRRBUBA-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.09
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-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]propan-2-amine (CID 116616240) is N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]propan-2-amine is CC(C)NCC1CCCCN1CCSC(F)(F)F.
What is the InChIKey of N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]propan-2-amine?
The InChIKey is VZBLTAZBRRBUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2S/c1-10(2)16-9-11-5-3-4-6-17(11)7-8-18-12(13,14)15/h10-11,16H,3-9H2,1-2H3.
What are the key properties of N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]propan-2-amine?
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]propan-2-amine has a molecular weight of 284.39 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 116616240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).