4-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]piperidine-1-sulfonamide

C12H22F3N3O2S — CID 82794649

IUPAC4-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]piperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC2CCC(C(F)(F)F)NC2)CC1
InChIInChI=1S/C12H22F3N3O2S/c1-9-4-6-18(7-5-9)21(19,20)17-10-2-3-11(16-8-10)12(13,14)15/h9-11,16-17H,2-8H2,1H3
InChIKeyQIYFMNJITXRMBQ-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.24
Rot. Bonds3

About 4-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]piperidine-1-sulfonamide

4-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]piperidine-1-sulfonamide (PubChem CID 82794649) has the molecular formula C12H22F3N3O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is 4-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]piperidine-1-sulfonamide
PubChem CID82794649
Molecular FormulaC12H22F3N3O2S
Molecular Weight329.39 g/mol
Exact Mass329.14
IUPAC Name4-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]piperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC2CCC(C(F)(F)F)NC2)CC1
InChIInChI=1S/C12H22F3N3O2S/c1-9-4-6-18(7-5-9)21(19,20)17-10-2-3-11(16-8-10)12(13,14)15/h9-11,16-17H,2-8H2,1H3
InChIKeyQIYFMNJITXRMBQ-UHFFFAOYSA-N
XLogP1.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]piperidine-1-sulfonamide?
The IUPAC name of 4-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]piperidine-1-sulfonamide (CID 82794649) is 4-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]piperidine-1-sulfonamide?
The canonical SMILES for 4-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]piperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NC2CCC(C(F)(F)F)NC2)CC1.
What is the InChIKey of 4-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]piperidine-1-sulfonamide?
The InChIKey is QIYFMNJITXRMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O2S/c1-9-4-6-18(7-5-9)21(19,20)17-10-2-3-11(16-8-10)12(13,14)15/h9-11,16-17H,2-8H2,1H3.
What are the key properties of 4-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]piperidine-1-sulfonamide?
4-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]piperidine-1-sulfonamide has a molecular weight of 329.39 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 82794649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).