2-methylsulfanyl-N-(2-pyridin-4-ylethyl)aniline

C14H16N2S — CID 107644727

IUPAC2-methylsulfanyl-N-(2-pyridin-4-ylethyl)aniline
SMILESCSc1ccccc1NCCc1ccncc1
InChIInChI=1S/C14H16N2S/c1-17-14-5-3-2-4-13(14)16-11-8-12-6-9-15-10-7-12/h2-7,9-10,16H,8,11H2,1H3
InChIKeyUQVZNZOHHPRYSO-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.46
Rot. Bonds5

About 2-methylsulfanyl-N-(2-pyridin-4-ylethyl)aniline

2-methylsulfanyl-N-(2-pyridin-4-ylethyl)aniline (PubChem CID 107644727) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-pyridin-4-ylethyl)aniline
PubChem CID107644727
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name2-methylsulfanyl-N-(2-pyridin-4-ylethyl)aniline
SMILESCSc1ccccc1NCCc1ccncc1
InChIInChI=1S/C14H16N2S/c1-17-14-5-3-2-4-13(14)16-11-8-12-6-9-15-10-7-12/h2-7,9-10,16H,8,11H2,1H3
InChIKeyUQVZNZOHHPRYSO-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline
CID 103731067
2-chloro-N-(2-pyridin-4-ylethyl)aniline
CID 45156427
2-methylsulfanyl-N-(2-pyridin-2-ylethyl)aniline
CID 107644767
N,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 60904200
2-(difluoromethylsulfonyl)-N-(2-pyridin-4-ylethyl)aniline
CID 60904511
2-(difluoromethylsulfanyl)-N-(2-pyridin-3-ylethyl)aniline
CID 63264817
2,4,5-trichloro-N-(2-pyridin-4-ylethyl)aniline
CID 60864708
N-(3-methoxypropyl)-2-methylsulfanylaniline
CID 103696970
4-chloro-2-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 114255842
1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941173
N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
CID 35811388
2-bromo-5-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 82757124

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-pyridin-4-ylethyl)aniline?
The IUPAC name of 2-methylsulfanyl-N-(2-pyridin-4-ylethyl)aniline (CID 107644727) is 2-methylsulfanyl-N-(2-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 2-methylsulfanyl-N-(2-pyridin-4-ylethyl)aniline?
The canonical SMILES for 2-methylsulfanyl-N-(2-pyridin-4-ylethyl)aniline is CSc1ccccc1NCCc1ccncc1.
What is the InChIKey of 2-methylsulfanyl-N-(2-pyridin-4-ylethyl)aniline?
The InChIKey is UQVZNZOHHPRYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-17-14-5-3-2-4-13(14)16-11-8-12-6-9-15-10-7-12/h2-7,9-10,16H,8,11H2,1H3.
What are the key properties of 2-methylsulfanyl-N-(2-pyridin-4-ylethyl)aniline?
2-methylsulfanyl-N-(2-pyridin-4-ylethyl)aniline has a molecular weight of 244.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(2-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 107644727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).