1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine

C12H15F3N2O2S — CID 43123375

IUPAC1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine
SMILESNC1CCCCN1S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O2S/c13-12(14,15)9-5-1-2-6-10(9)20(18,19)17-8-4-3-7-11(17)16/h1-2,5-6,11H,3-4,7-8,16H2
InChIKeyRXXQCXMVNGYDFR-UHFFFAOYSA-N
MW308.32 g/mol
LogP2.16
Rot. Bonds2

About 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine

1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine (PubChem CID 43123375) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.32 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine
PubChem CID43123375
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.32 g/mol
Exact Mass308.08
IUPAC Name1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine
SMILESNC1CCCCN1S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O2S/c13-12(14,15)9-5-1-2-6-10(9)20(18,19)17-8-4-3-7-11(17)16/h1-2,5-6,11H,3-4,7-8,16H2
InChIKeyRXXQCXMVNGYDFR-UHFFFAOYSA-N
XLogP2.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine?
The IUPAC name of 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine (CID 43123375) is 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine.
What is the SMILES notation for 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine?
The canonical SMILES for 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine is NC1CCCCN1S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine?
The InChIKey is RXXQCXMVNGYDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c13-12(14,15)9-5-1-2-6-10(9)20(18,19)17-8-4-3-7-11(17)16/h1-2,5-6,11H,3-4,7-8,16H2.
What are the key properties of 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine?
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine has a molecular weight of 308.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine is sourced from PubChem (CID 43123375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).