1,1,1-trifluoro-N-(2-piperidin-1-ylethyl)methanesulfonamide

C8H15F3N2O2S — CID 20571260

IUPAC1,1,1-trifluoro-N-(2-piperidin-1-ylethyl)methanesulfonamide
SMILESO=S(=O)(NCCN1CCCCC1)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)16(14,15)12-4-7-13-5-2-1-3-6-13/h12H,1-7H2
InChIKeyWKGQPHDSMLFHFZ-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.91
Rot. Bonds4

About 1,1,1-trifluoro-N-(2-piperidin-1-ylethyl)methanesulfonamide

1,1,1-trifluoro-N-(2-piperidin-1-ylethyl)methanesulfonamide (PubChem CID 20571260) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-piperidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-piperidin-1-ylethyl)methanesulfonamide
PubChem CID20571260
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC Name1,1,1-trifluoro-N-(2-piperidin-1-ylethyl)methanesulfonamide
SMILESO=S(=O)(NCCN1CCCCC1)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)16(14,15)12-4-7-13-5-2-1-3-6-13/h12H,1-7H2
InChIKeyWKGQPHDSMLFHFZ-UHFFFAOYSA-N
XLogP0.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2-piperidin-1-ylethyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2-piperidin-1-ylethyl)methanesulfonamide (CID 20571260) is 1,1,1-trifluoro-N-(2-piperidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-piperidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2-piperidin-1-ylethyl)methanesulfonamide is O=S(=O)(NCCN1CCCCC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2-piperidin-1-ylethyl)methanesulfonamide?
The InChIKey is WKGQPHDSMLFHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c9-8(10,11)16(14,15)12-4-7-13-5-2-1-3-6-13/h12H,1-7H2.
What are the key properties of 1,1,1-trifluoro-N-(2-piperidin-1-ylethyl)methanesulfonamide?
1,1,1-trifluoro-N-(2-piperidin-1-ylethyl)methanesulfonamide has a molecular weight of 260.28 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(2-piperidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 20571260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).