2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]ethanesulfonamide

C9H17F3N2O2S — CID 142818970

IUPAC2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]ethanesulfonamide
SMILESCN1CCCC(CNS(=O)(=O)CC(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O2S/c1-14-4-2-3-8(6-14)5-13-17(15,16)7-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyYLCLTOUEZNPZMD-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.81
Rot. Bonds4

About 2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]ethanesulfonamide

2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]ethanesulfonamide (PubChem CID 142818970) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]ethanesulfonamide
PubChem CID142818970
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC Name2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]ethanesulfonamide
SMILESCN1CCCC(CNS(=O)(=O)CC(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O2S/c1-14-4-2-3-8(6-14)5-13-17(15,16)7-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyYLCLTOUEZNPZMD-UHFFFAOYSA-N
XLogP0.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]ethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]ethanesulfonamide (CID 142818970) is 2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]ethanesulfonamide is CN1CCCC(CNS(=O)(=O)CC(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]ethanesulfonamide?
The InChIKey is YLCLTOUEZNPZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c1-14-4-2-3-8(6-14)5-13-17(15,16)7-9(10,11)12/h8,13H,2-7H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]ethanesulfonamide?
2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]ethanesulfonamide has a molecular weight of 274.31 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 142818970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).