4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine

C9H17F3N2S — CID 116616937

IUPAC4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine
SMILESCC1CCN(CCSC(F)(F)F)CC1N
InChIInChI=1S/C9H17F3N2S/c1-7-2-3-14(6-8(7)13)4-5-15-9(10,11)12/h7-8H,2-6,13H2,1H3
InChIKeyZECNAKBIRHPFOH-UHFFFAOYSA-N
MW242.31 g/mol
LogP1.91
Rot. Bonds3

About 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine

4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine (PubChem CID 116616937) has the molecular formula C9H17F3N2S and a molecular weight of 242.31 g/mol. Its IUPAC name is 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine
PubChem CID116616937
Molecular FormulaC9H17F3N2S
Molecular Weight242.31 g/mol
Exact Mass242.11
IUPAC Name4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine
SMILESCC1CCN(CCSC(F)(F)F)CC1N
InChIInChI=1S/C9H17F3N2S/c1-7-2-3-14(6-8(7)13)4-5-15-9(10,11)12/h7-8H,2-6,13H2,1H3
InChIKeyZECNAKBIRHPFOH-UHFFFAOYSA-N
XLogP1.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine
CID 116616919
[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine
CID 116616921
3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
CID 116616935
1-(3-ethoxypropyl)-4-methylpiperidin-3-amine
CID 65180830
2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
CID 116616987
N-[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine
CID 104930954
4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine
CID 106455019
ethyl (3R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidine-3-carboxylate
CID 104891378
2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]acetic acid
CID 116616826
[1-(2-ethylsulfanylethyl)-4-methylpiperidin-3-yl]methanamine
CID 114961302
1-(2-fluoroethyl)-3-methylpiperidin-4-amine
CID 80695776
1,4-dimethylpiperidin-3-amine;ethane
CID 169133952

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine?
The IUPAC name of 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine (CID 116616937) is 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine.
What is the SMILES notation for 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine?
The canonical SMILES for 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine is CC1CCN(CCSC(F)(F)F)CC1N.
What is the InChIKey of 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine?
The InChIKey is ZECNAKBIRHPFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2S/c1-7-2-3-14(6-8(7)13)4-5-15-9(10,11)12/h7-8H,2-6,13H2,1H3.
What are the key properties of 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine?
4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine has a molecular weight of 242.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine is sourced from PubChem (CID 116616937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).