[1-methylsulfonyl-2-(trifluoromethyl)piperidin-2-yl]methanamine

C8H15F3N2O2S — CID 115267137

IUPAC[1-methylsulfonyl-2-(trifluoromethyl)piperidin-2-yl]methanamine
SMILESCS(=O)(=O)N1CCCCC1(CN)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c1-16(14,15)13-5-3-2-4-7(13,6-12)8(9,10)11/h2-6,12H2,1H3
InChIKeyGGGDRLINBRFAAX-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.69
Rot. Bonds2

About [1-methylsulfonyl-2-(trifluoromethyl)piperidin-2-yl]methanamine

[1-methylsulfonyl-2-(trifluoromethyl)piperidin-2-yl]methanamine (PubChem CID 115267137) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is [1-methylsulfonyl-2-(trifluoromethyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-methylsulfonyl-2-(trifluoromethyl)piperidin-2-yl]methanamine
PubChem CID115267137
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC Name[1-methylsulfonyl-2-(trifluoromethyl)piperidin-2-yl]methanamine
SMILESCS(=O)(=O)N1CCCCC1(CN)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c1-16(14,15)13-5-3-2-4-7(13,6-12)8(9,10)11/h2-6,12H2,1H3
InChIKeyGGGDRLINBRFAAX-UHFFFAOYSA-N
XLogP0.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-methylsulfonyl-2-(trifluoromethyl)piperidin-2-yl]methanamine?
The IUPAC name of [1-methylsulfonyl-2-(trifluoromethyl)piperidin-2-yl]methanamine (CID 115267137) is [1-methylsulfonyl-2-(trifluoromethyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [1-methylsulfonyl-2-(trifluoromethyl)piperidin-2-yl]methanamine?
The canonical SMILES for [1-methylsulfonyl-2-(trifluoromethyl)piperidin-2-yl]methanamine is CS(=O)(=O)N1CCCCC1(CN)C(F)(F)F.
What is the InChIKey of [1-methylsulfonyl-2-(trifluoromethyl)piperidin-2-yl]methanamine?
The InChIKey is GGGDRLINBRFAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c1-16(14,15)13-5-3-2-4-7(13,6-12)8(9,10)11/h2-6,12H2,1H3.
What are the key properties of [1-methylsulfonyl-2-(trifluoromethyl)piperidin-2-yl]methanamine?
[1-methylsulfonyl-2-(trifluoromethyl)piperidin-2-yl]methanamine has a molecular weight of 260.28 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methylsulfonyl-2-(trifluoromethyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 115267137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).