N-[(3R)-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide

C8H13F3N2O3S — CID 178077791

IUPACN-[(3R)-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O3S/c1-6(14)12-7-3-2-4-13(5-7)17(15,16)8(9,10)11/h7H,2-5H2,1H3,(H,12,14)/t7-/m1/s1
InChIKeyQQMHZHZSTUIHKI-SSDOTTSWSA-N
MW274.26 g/mol
LogP0.44
Rot. Bonds2

About N-[(3R)-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide

N-[(3R)-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide (PubChem CID 178077791) has the molecular formula C8H13F3N2O3S and a molecular weight of 274.26 g/mol. Its IUPAC name is N-[(3R)-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide
PubChem CID178077791
Molecular FormulaC8H13F3N2O3S
Molecular Weight274.26 g/mol
Exact Mass274.06
IUPAC NameN-[(3R)-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O3S/c1-6(14)12-7-3-2-4-13(5-7)17(15,16)8(9,10)11/h7H,2-5H2,1H3,(H,12,14)/t7-/m1/s1
InChIKeyQQMHZHZSTUIHKI-SSDOTTSWSA-N
XLogP0.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-propanoylpiperidin-3-yl)methanesulfonamide
CID 47180684
(1S,2S)-N-Acetyl-N,N'-bis(trifluoromethylsulfonyl)-1,2-cyclohexanediamine
CID 11270098
N-(trifluoromethylsulfonyl)-N-[(2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide
CID 135078942
N-[(3R,4R)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide
CID 162401877
2,2,2-trifluoro-N-[2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]ethyl]acetamide
CID 87637916
N-cyclohexyl-2,2-difluoro-2-sulfamoylacetamide
CID 129294994
N-[(3S)-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide
CID 178077789
N-[4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide
CID 178612586
N-[(3R)-1-propanoylpiperidin-3-yl]methanesulfonamide
CID 93806133
N-(trifluoromethylsulfonyl)-N-[2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide
CID 10295614
2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 33415883
2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 33415889

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide (CID 178077791) is N-[(3R)-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide is CC(=O)N[C@@H]1CCCN(S(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of N-[(3R)-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide?
The InChIKey is QQMHZHZSTUIHKI-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13F3N2O3S/c1-6(14)12-7-3-2-4-13(5-7)17(15,16)8(9,10)11/h7H,2-5H2,1H3,(H,12,14)/t7-/m1/s1.
What are the key properties of N-[(3R)-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide?
N-[(3R)-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide has a molecular weight of 274.26 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 178077791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).