N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]methanesulfonamide

C13H19FN2O2S — CID 95629495

IUPACN-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]methanesulfonamide
SMILESCc1ccc(F)c(N2CCC[C@@H](NS(C)(=O)=O)C2)c1
InChIInChI=1S/C13H19FN2O2S/c1-10-5-6-12(14)13(8-10)16-7-3-4-11(9-16)15-19(2,17)18/h5-6,8,11,15H,3-4,7,9H2,1-2H3/t11-/m1/s1
InChIKeyNIPIVIAPAGUEAJ-LLVKDONJSA-N
MW286.37 g/mol
LogP1.65
Rot. Bonds3

About N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]methanesulfonamide

N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]methanesulfonamide (PubChem CID 95629495) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]methanesulfonamide
PubChem CID95629495
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC NameN-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]methanesulfonamide
SMILESCc1ccc(F)c(N2CCC[C@@H](NS(C)(=O)=O)C2)c1
InChIInChI=1S/C13H19FN2O2S/c1-10-5-6-12(14)13(8-10)16-7-3-4-11(9-16)15-19(2,17)18/h5-6,8,11,15H,3-4,7,9H2,1-2H3/t11-/m1/s1
InChIKeyNIPIVIAPAGUEAJ-LLVKDONJSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3R)-1-(2-fluoro-5-methylphenyl)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-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]methanesulfonamide
CID 133296952
N-[(3S)-1-(3-methyl-2-nitrophenyl)piperidin-3-yl]methanesulfonamide
CID 100640943
2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide
CID 86965224
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428371
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea
CID 111424850
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 86966897
(2S)-2-(benzenesulfonamido)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide
CID 86966235
(3R)-N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-hydroxythiolane-3-carboxamide
CID 97330646
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 86965219
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111444175
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-methylsulfonyl-5-nitrobenzamide
CID 86965282
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(4-fluorophenyl)sulfonylbutanamide
CID 86965350

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]methanesulfonamide (CID 95629495) is N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]methanesulfonamide is Cc1ccc(F)c(N2CCC[C@@H](NS(C)(=O)=O)C2)c1.
What is the InChIKey of N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is NIPIVIAPAGUEAJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-10-5-6-12(14)13(8-10)16-7-3-4-11(9-16)15-19(2,17)18/h5-6,8,11,15H,3-4,7,9H2,1-2H3/t11-/m1/s1.
What are the key properties of N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]methanesulfonamide?
N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 95629495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).