N-(2,2,2-trifluoro-1-piperidin-4-ylethyl)methanesulfonamide

C8H15F3N2O2S — CID 169312487

IUPACN-(2,2,2-trifluoro-1-piperidin-4-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)NC(C1CCNCC1)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c1-16(14,15)13-7(8(9,10)11)6-2-4-12-5-3-6/h6-7,12-13H,2-5H2,1H3
InChIKeyZPNXEULHGGMHNI-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.47
Rot. Bonds3

About N-(2,2,2-trifluoro-1-piperidin-4-ylethyl)methanesulfonamide

N-(2,2,2-trifluoro-1-piperidin-4-ylethyl)methanesulfonamide (PubChem CID 169312487) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is N-(2,2,2-trifluoro-1-piperidin-4-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoro-1-piperidin-4-ylethyl)methanesulfonamide
PubChem CID169312487
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC NameN-(2,2,2-trifluoro-1-piperidin-4-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)NC(C1CCNCC1)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c1-16(14,15)13-7(8(9,10)11)6-2-4-12-5-3-6/h6-7,12-13H,2-5H2,1H3
InChIKeyZPNXEULHGGMHNI-UHFFFAOYSA-N
XLogP0.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoro-1-piperidin-4-ylethyl)methanesulfonamide?
The IUPAC name of N-(2,2,2-trifluoro-1-piperidin-4-ylethyl)methanesulfonamide (CID 169312487) is N-(2,2,2-trifluoro-1-piperidin-4-ylethyl)methanesulfonamide.
What is the SMILES notation for N-(2,2,2-trifluoro-1-piperidin-4-ylethyl)methanesulfonamide?
The canonical SMILES for N-(2,2,2-trifluoro-1-piperidin-4-ylethyl)methanesulfonamide is CS(=O)(=O)NC(C1CCNCC1)C(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoro-1-piperidin-4-ylethyl)methanesulfonamide?
The InChIKey is ZPNXEULHGGMHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c1-16(14,15)13-7(8(9,10)11)6-2-4-12-5-3-6/h6-7,12-13H,2-5H2,1H3.
What are the key properties of N-(2,2,2-trifluoro-1-piperidin-4-ylethyl)methanesulfonamide?
N-(2,2,2-trifluoro-1-piperidin-4-ylethyl)methanesulfonamide has a molecular weight of 260.28 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoro-1-piperidin-4-ylethyl)methanesulfonamide is sourced from PubChem (CID 169312487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).