1-(2-methylphenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine

C15H18N2S — CID 66099254

IUPAC1-(2-methylphenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
SMILESCc1ccccc1SCC(N)Cc1ccccn1
InChIInChI=1S/C15H18N2S/c1-12-6-2-3-8-15(12)18-11-13(16)10-14-7-4-5-9-17-14/h2-9,13H,10-11,16H2,1H3
InChIKeyRNMAFOVDTKQZLK-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.05
Rot. Bonds5

About 1-(2-methylphenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine

1-(2-methylphenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine (PubChem CID 66099254) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-(2-methylphenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
PubChem CID66099254
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name1-(2-methylphenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
SMILESCc1ccccc1SCC(N)Cc1ccccn1
InChIInChI=1S/C15H18N2S/c1-12-6-2-3-8-15(12)18-11-13(16)10-14-7-4-5-9-17-14/h2-9,13H,10-11,16H2,1H3
InChIKeyRNMAFOVDTKQZLK-UHFFFAOYSA-N
XLogP3.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
CID 66051531
2-amino-3-pyridin-2-ylpropan-1-ol;hydrochloride
CID 75525879
1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098425
2-methyl-6-(pyridin-2-ylmethylsulfanyl)aniline
CID 79146225
4-methyl-1-pyridin-2-ylpentan-2-amine
CID 43118867
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
1-(5-bromothiophen-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098427
1-(3-chlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098008
1-(5-chloro-2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 103048816
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66097361
1-(2,6-dimethylphenyl)-4-pyridin-2-ylbutan-2-amine
CID 105174650
1-(1-benzothiophen-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66097364

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine?
The IUPAC name of 1-(2-methylphenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine (CID 66099254) is 1-(2-methylphenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine.
What is the SMILES notation for 1-(2-methylphenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine?
The canonical SMILES for 1-(2-methylphenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine is Cc1ccccc1SCC(N)Cc1ccccn1.
What is the InChIKey of 1-(2-methylphenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine?
The InChIKey is RNMAFOVDTKQZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-12-6-2-3-8-15(12)18-11-13(16)10-14-7-4-5-9-17-14/h2-9,13H,10-11,16H2,1H3.
What are the key properties of 1-(2-methylphenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine?
1-(2-methylphenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine has a molecular weight of 258.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine is sourced from PubChem (CID 66099254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).