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

C9H17F3N2S — CID 116616987

IUPAC2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
SMILESCC1CC(N)CCN1CCSC(F)(F)F
InChIInChI=1S/C9H17F3N2S/c1-7-6-8(13)2-3-14(7)4-5-15-9(10,11)12/h7-8H,2-6,13H2,1H3
InChIKeyMLPGKLJNJYQEJN-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.05
Rot. Bonds3

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

2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine (PubChem CID 116616987) has the molecular formula C9H17F3N2S and a molecular weight of 242.31 g/mol. Its IUPAC name is 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
PubChem CID116616987
Molecular FormulaC9H17F3N2S
Molecular Weight242.31 g/mol
Exact Mass242.11
IUPAC Name2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
SMILESCC1CC(N)CCN1CCSC(F)(F)F
InChIInChI=1S/C9H17F3N2S/c1-7-6-8(13)2-3-14(7)4-5-15-9(10,11)12/h7-8H,2-6,13H2,1H3
InChIKeyMLPGKLJNJYQEJN-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine
CID 103441948
1-[2-(cyclopropylmethoxy)ethyl]-2-methylpiperidin-4-amine
CID 103821324
1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine
CID 116616919
4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine
CID 116616937
2-(4-amino-2-methylpiperidin-1-yl)acetonitrile
CID 115313042
1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperidin-4-amine
CID 103181634
1-(2-cyclohexyloxyethyl)-2-methylpiperidin-4-amine
CID 55260112
methyl 4-(4-amino-2-methylpiperidin-1-yl)butanoate
CID 115313229
1-(2-bromoprop-2-enyl)-2-methylpiperidin-4-amine
CID 115313002
1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidin-4-amine
CID 67623117
1-(4-amino-2-methylpiperidin-1-yl)-3-cyclopentylpropan-2-ol
CID 103160911
[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine
CID 116616921

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
The IUPAC name of 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine (CID 116616987) is 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
The canonical SMILES for 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine is CC1CC(N)CCN1CCSC(F)(F)F.
What is the InChIKey of 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
The InChIKey is MLPGKLJNJYQEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2S/c1-7-6-8(13)2-3-14(7)4-5-15-9(10,11)12/h7-8H,2-6,13H2,1H3.
What are the key properties of 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine has a molecular weight of 242.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 116616987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).