N-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide

C8H13F3N2O3S — CID 62490631

IUPACN-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O3S/c1-17(15,16)12-6-3-2-4-13(5-6)7(14)8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyUSWXJSLZTBAFRB-UHFFFAOYSA-N
MW274.26 g/mol
LogP0.09
Rot. Bonds2

About N-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide

N-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide (PubChem CID 62490631) has the molecular formula C8H13F3N2O3S and a molecular weight of 274.26 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide
PubChem CID62490631
Molecular FormulaC8H13F3N2O3S
Molecular Weight274.26 g/mol
Exact Mass274.06
IUPAC NameN-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O3S/c1-17(15,16)12-6-3-2-4-13(5-6)7(14)8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyUSWXJSLZTBAFRB-UHFFFAOYSA-N
XLogP0.09
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 ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S)-1-(7-fluorobicyclo[4.1.0]heptane-7-carbonyl)piperidin-3-yl]methanesulfonamide
CID 166310642
3-(methanesulfonamido)-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 51083495
N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide
CID 54871310
3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid
CID 126773299
N-[(1R)-1-cyclopentyl-2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]acetamide
CID 95133490
N-[(3R)-1-[(Z)-2-methylpent-2-enoyl]piperidin-3-yl]methanesulfonamide
CID 95150282
3-[3-(methanesulfonamido)piperidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834840
N-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 79854784
N-[1-(3,5-dibromobenzoyl)piperidin-3-yl]methanesulfonamide
CID 103907786
N-[(3R)-1-[(2S)-2-ethoxypropanoyl]piperidin-3-yl]methanesulfonamide
CID 95133875
N-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]methanesulfonamide
CID 65227685
N-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 102778694

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide (CID 62490631) is N-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(C(=O)C(F)(F)F)C1.
What is the InChIKey of N-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is USWXJSLZTBAFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3S/c1-17(15,16)12-6-3-2-4-13(5-6)7(14)8(9,10)11/h6,12H,2-5H2,1H3.
What are the key properties of N-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide?
N-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 274.26 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 62490631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).