[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine

C7H13F3N2O2S — CID 43605368

IUPAC[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)15(13,14)12-3-1-6(5-11)2-4-12/h6H,1-5,11H2
InChIKeyRIQXPPXIZFHYMQ-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.51
Rot. Bonds2

About [1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine

[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine (PubChem CID 43605368) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is [1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine
PubChem CID43605368
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC Name[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)15(13,14)12-3-1-6(5-11)2-4-12/h6H,1-5,11H2
InChIKeyRIQXPPXIZFHYMQ-UHFFFAOYSA-N
XLogP0.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine (CID 43605368) is [1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine is NCC1CCN(S(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of [1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine?
The InChIKey is RIQXPPXIZFHYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c8-7(9,10)15(13,14)12-3-1-6(5-11)2-4-12/h6H,1-5,11H2.
What are the key properties of [1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine?
[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine has a molecular weight of 246.25 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 43605368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).