N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfonylaniline

C14H16N2O2S — CID 55142270

IUPACN-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfonylaniline
SMILESCc1ccc(CNc2ccccc2S(C)(=O)=O)cn1
InChIInChI=1S/C14H16N2O2S/c1-11-7-8-12(9-15-11)10-16-13-5-3-4-6-14(13)19(2,17)18/h3-9,16H,10H2,1-2H3
InChIKeyFCKKJLMWHUFXPG-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.41
Rot. Bonds4

About N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfonylaniline

N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfonylaniline (PubChem CID 55142270) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfonylaniline.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfonylaniline
PubChem CID55142270
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfonylaniline
SMILESCc1ccc(CNc2ccccc2S(C)(=O)=O)cn1
InChIInChI=1S/C14H16N2O2S/c1-11-7-8-12(9-15-11)10-16-13-5-3-4-6-14(13)19(2,17)18/h3-9,16H,10H2,1-2H3
InChIKeyFCKKJLMWHUFXPG-UHFFFAOYSA-N
XLogP2.41
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 62996272
N-methyl-2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 62994869
N-methyl-2-[2-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
CID 104756616
N-[[4-(dimethylamino)phenyl]methyl]-2-methylsulfonylaniline
CID 43232226
N-[(4-methylsulfanylphenyl)methyl]-2-methylsulfonylaniline
CID 43724594
2-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine
CID 104819732
2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104749132
N-[(6-methyl-3-pyridinyl)methyl]quinolin-5-amine
CID 104756560
2-bromo-3-chloro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 103478067
3-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 62997267
N-[(1-ethenylpyrazol-4-yl)methyl]-2-methylsulfonylaniline
CID 106936174
5-methyl-N-(2-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 52560390

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfonylaniline?
The IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfonylaniline (CID 55142270) is N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfonylaniline.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfonylaniline?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfonylaniline is Cc1ccc(CNc2ccccc2S(C)(=O)=O)cn1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfonylaniline?
The InChIKey is FCKKJLMWHUFXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-11-7-8-12(9-15-11)10-16-13-5-3-4-6-14(13)19(2,17)18/h3-9,16H,10H2,1-2H3.
What are the key properties of N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfonylaniline?
N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfonylaniline has a molecular weight of 276.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfonylaniline is sourced from PubChem (CID 55142270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).