N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide

C10H19F3N2O2S — CID 60891220

IUPACN-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C10H19F3N2O2S/c1-15(8-10(11,12)13)18(16,17)7-4-9-2-5-14-6-3-9/h9,14H,2-8H2,1H3
InChIKeyXYBHEDSEJPNYQS-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.20
Rot. Bonds5

About N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide

N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 60891220) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID60891220
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC NameN-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C10H19F3N2O2S/c1-15(8-10(11,12)13)18(16,17)7-4-9-2-5-14-6-3-9/h9,14H,2-8H2,1H3
InChIKeyXYBHEDSEJPNYQS-UHFFFAOYSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 60891220) is N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide is CN(CC(F)(F)F)S(=O)(=O)CCC1CCNCC1.
What is the InChIKey of N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is XYBHEDSEJPNYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-15(8-10(11,12)13)18(16,17)7-4-9-2-5-14-6-3-9/h9,14H,2-8H2,1H3.
What are the key properties of N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 60891220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).