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

C10H19F3N2S — CID 103441948

IUPAC[4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine
SMILESCC1CCN(CCSC(F)(F)F)C(CN)C1
InChIInChI=1S/C10H19F3N2S/c1-8-2-3-15(9(6-8)7-14)4-5-16-10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyWNCNZLKASFZJQM-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.30
Rot. Bonds4

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

[4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine (PubChem CID 103441948) has the molecular formula C10H19F3N2S and a molecular weight of 256.34 g/mol. Its IUPAC name is [4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine
PubChem CID103441948
Molecular FormulaC10H19F3N2S
Molecular Weight256.34 g/mol
Exact Mass256.12
IUPAC Name[4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine
SMILESCC1CCN(CCSC(F)(F)F)C(CN)C1
InChIInChI=1S/C10H19F3N2S/c1-8-2-3-15(9(6-8)7-14)4-5-16-10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyWNCNZLKASFZJQM-UHFFFAOYSA-N
XLogP2.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine (CID 103441948) is [4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine is CC1CCN(CCSC(F)(F)F)C(CN)C1.
What is the InChIKey of [4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine?
The InChIKey is WNCNZLKASFZJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2S/c1-8-2-3-15(9(6-8)7-14)4-5-16-10(11,12)13/h8-9H,2-7,14H2,1H3.
What are the key properties of [4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine?
[4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine has a molecular weight of 256.34 g/mol, XLogP of 2.30, 4 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-2-yl]methanamine is sourced from PubChem (CID 103441948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).