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

C6H12ClF3N2O2S — CID 70895794

IUPAC1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNCC1)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2S.ClH/c7-6(8,9)14(12,13)11-5-1-3-10-4-2-5;/h5,10-11H,1-4H2;1H
InChIKeyDYTZLFMMHVTECB-UHFFFAOYSA-N
MW268.69 g/mol
LogP0.60
Rot. Bonds2

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

1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide;hydrochloride (PubChem CID 70895794) has the molecular formula C6H12ClF3N2O2S and a molecular weight of 268.69 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide;hydrochloride
PubChem CID70895794
Molecular FormulaC6H12ClF3N2O2S
Molecular Weight268.69 g/mol
Exact Mass268.03
IUPAC Name1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNCC1)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2S.ClH/c7-6(8,9)14(12,13)11-5-1-3-10-4-2-5;/h5,10-11H,1-4H2;1H
InChIKeyDYTZLFMMHVTECB-UHFFFAOYSA-N
XLogP0.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide;hydrochloride?
The IUPAC name of 1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide;hydrochloride (CID 70895794) is 1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide;hydrochloride.
What is the SMILES notation for 1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide;hydrochloride?
The canonical SMILES for 1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide;hydrochloride is Cl.O=S(=O)(NC1CCNCC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide;hydrochloride?
The InChIKey is DYTZLFMMHVTECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2S.ClH/c7-6(8,9)14(12,13)11-5-1-3-10-4-2-5;/h5,10-11H,1-4H2;1H.
What are the key properties of 1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide;hydrochloride?
1,1,1-trifluoro-N-piperidin-4-ylmethanesulfonamide;hydrochloride has a molecular weight of 268.69 g/mol, XLogP of 0.60, 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;hydrochloride is sourced from PubChem (CID 70895794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).