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

C8H16ClF3N2O2S — CID 54592982

IUPACN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)N(CC(F)(F)F)C1CCNCC1.Cl
InChIInChI=1S/C8H15F3N2O2S.ClH/c1-16(14,15)13(6-8(9,10)11)7-2-4-12-5-3-7;/h7,12H,2-6H2,1H3;1H
InChIKeyULFAFTXBDFBHMI-UHFFFAOYSA-N
MW296.74 g/mol
LogP0.98
Rot. Bonds3

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

N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride (PubChem CID 54592982) has the molecular formula C8H16ClF3N2O2S and a molecular weight of 296.74 g/mol. Its IUPAC name is N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
PubChem CID54592982
Molecular FormulaC8H16ClF3N2O2S
Molecular Weight296.74 g/mol
Exact Mass296.06
IUPAC NameN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)N(CC(F)(F)F)C1CCNCC1.Cl
InChIInChI=1S/C8H15F3N2O2S.ClH/c1-16(14,15)13(6-8(9,10)11)7-2-4-12-5-3-7;/h7,12H,2-6H2,1H3;1H
InChIKeyULFAFTXBDFBHMI-UHFFFAOYSA-N
XLogP0.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 50.98
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;hydrochloride?
The IUPAC name of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride (CID 54592982) is N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride is CS(=O)(=O)N(CC(F)(F)F)C1CCNCC1.Cl.
What is the InChIKey of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride?
The InChIKey is ULFAFTXBDFBHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S.ClH/c1-16(14,15)13(6-8(9,10)11)7-2-4-12-5-3-7;/h7,12H,2-6H2,1H3;1H.
What are the key properties of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride?
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride has a molecular weight of 296.74 g/mol, XLogP of 0.98, 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;hydrochloride is sourced from PubChem (CID 54592982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).