(4-methyl-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine

C14H16N2O2S — CID 105006479

IUPAC(4-methyl-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine
SMILESCc1ccncc1C(N)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H16N2O2S/c1-10-7-8-16-9-13(10)14(15)11-3-5-12(6-4-11)19(2,17)18/h3-9,14H,15H2,1-2H3
InChIKeySGFPSBZMGNZWCR-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.84
Rot. Bonds3

About (4-methyl-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine

(4-methyl-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine (PubChem CID 105006479) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is (4-methyl-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name(4-methyl-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine
PubChem CID105006479
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name(4-methyl-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine
SMILESCc1ccncc1C(N)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H16N2O2S/c1-10-7-8-16-9-13(10)14(15)11-3-5-12(6-4-11)19(2,17)18/h3-9,14H,15H2,1-2H3
InChIKeySGFPSBZMGNZWCR-UHFFFAOYSA-N
XLogP1.84
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclobutylphenyl)-(4-methyl-3-pyridinyl)methanamine
CID 114877864
(4-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methanamine
CID 66272704
(5-fluoro-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine
CID 115804928
(4-fluorophenyl)-(4-methylsulfonylphenyl)methanamine
CID 24689230
(4-methyl-3-pyridinyl)-pyrimidin-2-ylmethanamine
CID 66273123
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869
(2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanamine
CID 43197870
(5-iodothiophen-3-yl)-(4-methyl-3-pyridinyl)methanamine
CID 105006630
(4-methylsulfonylphenyl)-(5-methylthiophen-2-yl)methanamine
CID 43198043
amino-(4-methylsulfonylphenyl)methanol
CID 116939660
(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanamine
CID 115853675
(3-bromo-2-fluorophenyl)-(4-methylsulfonylphenyl)methanamine
CID 106647644

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine?
The IUPAC name of (4-methyl-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine (CID 105006479) is (4-methyl-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine.
What is the SMILES notation for (4-methyl-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine?
The canonical SMILES for (4-methyl-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine is Cc1ccncc1C(N)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (4-methyl-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine?
The InChIKey is SGFPSBZMGNZWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-7-8-16-9-13(10)14(15)11-3-5-12(6-4-11)19(2,17)18/h3-9,14H,15H2,1-2H3.
What are the key properties of (4-methyl-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine?
(4-methyl-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine has a molecular weight of 276.36 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 105006479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).