N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide

C7H13F3N2O2S — CID 82816915

IUPACN-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C7H13F3N2O2S/c1-15(13,14)12-5-2-3-6(11-4-5)7(8,9)10/h5-6,11-12H,2-4H2,1H3
InChIKeyZOFNELRNHFOFGF-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.22
Rot. Bonds2

About N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide

N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide (PubChem CID 82816915) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
PubChem CID82816915
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC NameN-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C7H13F3N2O2S/c1-15(13,14)12-5-2-3-6(11-4-5)7(8,9)10/h5-6,11-12H,2-4H2,1H3
InChIKeyZOFNELRNHFOFGF-UHFFFAOYSA-N
XLogP0.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43556400
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CID 45792405
CID 45792405
CID 53256839
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CID 119031233
CID 119031233
CID 53256472
CID 53256472
CID 91654571
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CID 60921764
CID 60921764
CID 77059137
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CID 113902909
CID 113902909

Frequently Asked Questions

What is the IUPAC name of N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide (CID 82816915) is N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCC(C(F)(F)F)NC1.
What is the InChIKey of N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is ZOFNELRNHFOFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c1-15(13,14)12-5-2-3-6(11-4-5)7(8,9)10/h5-6,11-12H,2-4H2,1H3.
What are the key properties of N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide?
N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 246.25 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 82816915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).