N-[(4-methylpiperidin-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide

C15H21F3N2O2S — CID 120719963

IUPACN-[(4-methylpiperidin-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCC1(CNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CCNCC1
InChIInChI=1S/C15H21F3N2O2S/c1-14(5-7-19-8-6-14)11-20-23(21,22)10-12-3-2-4-13(9-12)15(16,17)18/h2-4,9,19-20H,5-8,10-11H2,1H3
InChIKeyZMHFDISSYCGGHY-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.51
Rot. Bonds5

About N-[(4-methylpiperidin-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide

N-[(4-methylpiperidin-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 120719963) has the molecular formula C15H21F3N2O2S and a molecular weight of 350.41 g/mol. Its IUPAC name is N-[(4-methylpiperidin-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4-methylpiperidin-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID120719963
Molecular FormulaC15H21F3N2O2S
Molecular Weight350.41 g/mol
Exact Mass350.13
IUPAC NameN-[(4-methylpiperidin-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCC1(CNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CCNCC1
InChIInChI=1S/C15H21F3N2O2S/c1-14(5-7-19-8-6-14)11-20-23(21,22)10-12-3-2-4-13(9-12)15(16,17)18/h2-4,9,19-20H,5-8,10-11H2,1H3
InChIKeyZMHFDISSYCGGHY-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyanomethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 15616017
2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120719849
1-(3,5-dichlorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]methanesulfonamide;hydrochloride
CID 120720466
N-[2-(propylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 120715926
N-methyl-2-[(3-methylpyrrolidin-3-yl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 120903624
4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 120720257
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120888355
4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120719842
4-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 63156452
4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120617133
N-piperidin-4-yl-N-propyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride
CID 119994035
2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 115058938

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylpiperidin-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[(4-methylpiperidin-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide (CID 120719963) is N-[(4-methylpiperidin-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[(4-methylpiperidin-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[(4-methylpiperidin-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide is CC1(CNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CCNCC1.
What is the InChIKey of N-[(4-methylpiperidin-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is ZMHFDISSYCGGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2S/c1-14(5-7-19-8-6-14)11-20-23(21,22)10-12-3-2-4-13(9-12)15(16,17)18/h2-4,9,19-20H,5-8,10-11H2,1H3.
What are the key properties of N-[(4-methylpiperidin-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
N-[(4-methylpiperidin-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 350.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylpiperidin-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 120719963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).