1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide

C6H11F3N2O2S — CID 11117910

IUPAC1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide
SMILESO=S(=O)(NC1CCNCC1)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-5-1-3-10-4-2-5/h5,10-11H,1-4H2
InChIKeyDCHMQOZPVFTNEM-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.18
Rot. Bonds2

About 1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide

1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide (PubChem CID 11117910) has the molecular formula C6H11F3N2O2S and a molecular weight of 232.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide
PubChem CID11117910
Molecular FormulaC6H11F3N2O2S
Molecular Weight232.23 g/mol
Exact Mass232.05
IUPAC Name1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide
SMILESO=S(=O)(NC1CCNCC1)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-5-1-3-10-4-2-5/h5,10-11H,1-4H2
InChIKeyDCHMQOZPVFTNEM-UHFFFAOYSA-N
XLogP0.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(Piperidin-4-yl)methanesulfonamide
CID 16227261
1-(Methanesulfonyl)piperidin-4-amine
CID 11355826
Piperidinium trifluoromethanesulfonate
CID 88480157
N-(piperidin-4-yl)methanesulfonamide hydrochloride
CID 20569935
1-Trifluoromethanesulfonylpiperidin-4-amine
CID 43556400
N-Methyl-1-(methylsulfonyl)-4-piperidinamine
CID 18758393
Methylpiperidinium trifluoromethane sulfonate
CID 88480153
Piperidine;trifluoromethanesulfonic acid
CID 12065827
((Piperidin-4-yl)sulfamoyl)(2,2,2-trifluoroethyl)amine hydrochloride
CID 75481816
N-(2,2-difluoroethyl)-1-methanesulfonylpiperidin-4-amine hydrochloride
CID 91654571
N-(2,2-Difluoroethyl)-1-methanesulfonylpiperidin-4-amine
CID 60921764
N-[3-(cyclopentylamino)propyl]-1,1,1-trifluoromethanesulfonamide
CID 18349082

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide (CID 11117910) is 1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide is O=S(=O)(NC1CCNCC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide?
The InChIKey is DCHMQOZPVFTNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-5-1-3-10-4-2-5/h5,10-11H,1-4H2.
What are the key properties of 1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide?
1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide has a molecular weight of 232.23 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 11117910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).