N-methyl-1-(6-methyl-3-pyridinyl)-1-(3-methylsulfonylphenyl)methanamine

C15H18N2O2S — CID 115854901

IUPACN-methyl-1-(6-methyl-3-pyridinyl)-1-(3-methylsulfonylphenyl)methanamine
SMILESCNC(c1ccc(C)nc1)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H18N2O2S/c1-11-7-8-13(10-17-11)15(16-2)12-5-4-6-14(9-12)20(3,18)19/h4-10,15-16H,1-3H3
InChIKeyFUVNLCPPYZUKDO-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.10
Rot. Bonds4

About N-methyl-1-(6-methyl-3-pyridinyl)-1-(3-methylsulfonylphenyl)methanamine

N-methyl-1-(6-methyl-3-pyridinyl)-1-(3-methylsulfonylphenyl)methanamine (PubChem CID 115854901) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-methyl-1-(6-methyl-3-pyridinyl)-1-(3-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(6-methyl-3-pyridinyl)-1-(3-methylsulfonylphenyl)methanamine
PubChem CID115854901
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-methyl-1-(6-methyl-3-pyridinyl)-1-(3-methylsulfonylphenyl)methanamine
SMILESCNC(c1ccc(C)nc1)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H18N2O2S/c1-11-7-8-13(10-17-11)15(16-2)12-5-4-6-14(9-12)20(3,18)19/h4-10,15-16H,1-3H3
InChIKeyFUVNLCPPYZUKDO-UHFFFAOYSA-N
XLogP2.10
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 63156049
1-(3,4-dichlorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 81492006
N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 112704192
(1R)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 130699454
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylsulfonylphenyl)methanamine
CID 115852484
1-(3,5-dimethoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 115854902
N-[(3,4-difluorophenyl)-(3-methylsulfonylphenyl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 133325794
1-(4-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 63155861
1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine
CID 43480214
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 115854824
[(3-fluorophenyl)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105193053
6-[[(4-fluorophenyl)-(3-methylsulfonylphenyl)methyl]amino]-N-methylpyridine-3-sulfonamide
CID 154839031

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-methyl-3-pyridinyl)-1-(3-methylsulfonylphenyl)methanamine?
The IUPAC name of N-methyl-1-(6-methyl-3-pyridinyl)-1-(3-methylsulfonylphenyl)methanamine (CID 115854901) is N-methyl-1-(6-methyl-3-pyridinyl)-1-(3-methylsulfonylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(6-methyl-3-pyridinyl)-1-(3-methylsulfonylphenyl)methanamine?
The canonical SMILES for N-methyl-1-(6-methyl-3-pyridinyl)-1-(3-methylsulfonylphenyl)methanamine is CNC(c1ccc(C)nc1)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-methyl-1-(6-methyl-3-pyridinyl)-1-(3-methylsulfonylphenyl)methanamine?
The InChIKey is FUVNLCPPYZUKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-7-8-13(10-17-11)15(16-2)12-5-4-6-14(9-12)20(3,18)19/h4-10,15-16H,1-3H3.
What are the key properties of N-methyl-1-(6-methyl-3-pyridinyl)-1-(3-methylsulfonylphenyl)methanamine?
N-methyl-1-(6-methyl-3-pyridinyl)-1-(3-methylsulfonylphenyl)methanamine has a molecular weight of 290.39 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-methyl-3-pyridinyl)-1-(3-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 115854901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).