N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide

C8H15F3N2O2S — CID 43602820

IUPACN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C8H15F3N2O2S/c1-16(14,15)13(6-8(9,10)11)7-2-4-12-5-3-7/h7,12H,2-6H2,1H3
InChIKeyBMDKNRLJRHTFMR-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.56
Rot. Bonds3

About N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide

N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 43602820) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID43602820
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC NameN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C8H15F3N2O2S/c1-16(14,15)13(6-8(9,10)11)7-2-4-12-5-3-7/h7,12H,2-6H2,1H3
InChIKeyBMDKNRLJRHTFMR-UHFFFAOYSA-N
XLogP0.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 43602820) is N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide is CS(=O)(=O)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is BMDKNRLJRHTFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c1-16(14,15)13(6-8(9,10)11)7-2-4-12-5-3-7/h7,12H,2-6H2,1H3.
What are the key properties of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 260.28 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 43602820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).