2-methyl-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-amine

C12H15F3N2O2S — CID 115312594

IUPAC2-methyl-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-amine
SMILESCC1CC(N)CCN1S(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H15F3N2O2S/c1-7-4-9(16)2-3-17(7)20(18,19)12-10(14)5-8(13)6-11(12)15/h5-7,9H,2-4,16H2,1H3
InChIKeyHDMBTZYUBWWKLV-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.60
Rot. Bonds2

About 2-methyl-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-amine

2-methyl-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-amine (PubChem CID 115312594) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-methyl-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name2-methyl-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-amine
PubChem CID115312594
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC Name2-methyl-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-amine
SMILESCC1CC(N)CCN1S(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H15F3N2O2S/c1-7-4-9(16)2-3-17(7)20(18,19)12-10(14)5-8(13)6-11(12)15/h5-7,9H,2-4,16H2,1H3
InChIKeyHDMBTZYUBWWKLV-UHFFFAOYSA-N
XLogP1.60
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-amine?
The IUPAC name of 2-methyl-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-amine (CID 115312594) is 2-methyl-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 2-methyl-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for 2-methyl-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-amine is CC1CC(N)CCN1S(=O)(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2-methyl-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-amine?
The InChIKey is HDMBTZYUBWWKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-7-4-9(16)2-3-17(7)20(18,19)12-10(14)5-8(13)6-11(12)15/h5-7,9H,2-4,16H2,1H3.
What are the key properties of 2-methyl-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-amine?
2-methyl-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-amine has a molecular weight of 308.33 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 115312594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).