5-bromo-4-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]pyridin-2-amine

C15H17BrN2O2S — CID 133403895

IUPAC5-bromo-4-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]pyridin-2-amine
SMILESCc1cc(NCc2ccccc2CS(C)(=O)=O)ncc1Br
InChIInChI=1S/C15H17BrN2O2S/c1-11-7-15(18-9-14(11)16)17-8-12-5-3-4-6-13(12)10-21(2,19)20/h3-7,9H,8,10H2,1-2H3,(H,17,18)
InChIKeyFSPPZPGKSJDXGT-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.31
Rot. Bonds5

About 5-bromo-4-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]pyridin-2-amine

5-bromo-4-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]pyridin-2-amine (PubChem CID 133403895) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]pyridin-2-amine
PubChem CID133403895
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name5-bromo-4-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]pyridin-2-amine
SMILESCc1cc(NCc2ccccc2CS(C)(=O)=O)ncc1Br
InChIInChI=1S/C15H17BrN2O2S/c1-11-7-15(18-9-14(11)16)17-8-12-5-3-4-6-13(12)10-21(2,19)20/h3-7,9H,8,10H2,1-2H3,(H,17,18)
InChIKeyFSPPZPGKSJDXGT-UHFFFAOYSA-N
XLogP3.31
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-amine
CID 115147105
1-[[2-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]phenyl]methyl]piperidin-4-ol
CID 133403510
N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 79729951
N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide
CID 80741257
5-bromo-N-(2-ethylphenyl)-4-methylpyridin-2-amine
CID 114870208
5-bromo-N-[(3,4-difluorophenyl)methyl]-4-methylpyridin-2-amine
CID 115773984
8-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine
CID 133368699
N-(5-bromo-4-methyl-2-pyridinyl)-2-hydroxyethanesulfonamide
CID 79729788
3-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 113352961
5-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylpyridin-2-amine
CID 115886989
N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113011606
2-[[(5-bromo-4-methoxy-2-pyridinyl)amino]methyl]phenol
CID 75470151

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-4-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]pyridin-2-amine (CID 133403895) is 5-bromo-4-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-4-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]pyridin-2-amine is Cc1cc(NCc2ccccc2CS(C)(=O)=O)ncc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]pyridin-2-amine?
The InChIKey is FSPPZPGKSJDXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-11-7-15(18-9-14(11)16)17-8-12-5-3-4-6-13(12)10-21(2,19)20/h3-7,9H,8,10H2,1-2H3,(H,17,18).
What are the key properties of 5-bromo-4-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]pyridin-2-amine?
5-bromo-4-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]pyridin-2-amine has a molecular weight of 369.28 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 133403895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).