1,1,1-trifluoro-N-methyl-N-piperidin-4-ylmethanesulfonamide

C7H13F3N2O2S — CID 43607024

IUPAC1,1,1-trifluoro-N-methyl-N-piperidin-4-ylmethanesulfonamide
SMILESCN(C1CCNCC1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2S/c1-12(6-2-4-11-5-3-6)15(13,14)7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyZKCVMEIWGCGYGH-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.52
Rot. Bonds2

About 1,1,1-trifluoro-N-methyl-N-piperidin-4-ylmethanesulfonamide

1,1,1-trifluoro-N-methyl-N-piperidin-4-ylmethanesulfonamide (PubChem CID 43607024) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyl-N-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-N-piperidin-4-ylmethanesulfonamide
PubChem CID43607024
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC Name1,1,1-trifluoro-N-methyl-N-piperidin-4-ylmethanesulfonamide
SMILESCN(C1CCNCC1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2S/c1-12(6-2-4-11-5-3-6)15(13,14)7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyZKCVMEIWGCGYGH-UHFFFAOYSA-N
XLogP0.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.52
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-methyl-N-piperidin-4-ylmethanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-methyl-N-piperidin-4-ylmethanesulfonamide (CID 43607024) is 1,1,1-trifluoro-N-methyl-N-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-N-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-N-piperidin-4-ylmethanesulfonamide is CN(C1CCNCC1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-N-piperidin-4-ylmethanesulfonamide?
The InChIKey is ZKCVMEIWGCGYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c1-12(6-2-4-11-5-3-6)15(13,14)7(8,9)10/h6,11H,2-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-methyl-N-piperidin-4-ylmethanesulfonamide?
1,1,1-trifluoro-N-methyl-N-piperidin-4-ylmethanesulfonamide has a molecular weight of 246.25 g/mol, XLogP of 0.52, 2 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-methyl-N-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 43607024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).