2-methyl-N-(2-pyridin-2-ylsulfanylethyl)aniline

C14H16N2S — CID 62578988

IUPAC2-methyl-N-(2-pyridin-2-ylsulfanylethyl)aniline
SMILESCc1ccccc1NCCSc1ccccn1
InChIInChI=1S/C14H16N2S/c1-12-6-2-3-7-13(12)15-10-11-17-14-8-4-5-9-16-14/h2-9,15H,10-11H2,1H3
InChIKeyDBFIONIKHOETLE-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.59
Rot. Bonds5

About 2-methyl-N-(2-pyridin-2-ylsulfanylethyl)aniline

2-methyl-N-(2-pyridin-2-ylsulfanylethyl)aniline (PubChem CID 62578988) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-methyl-N-(2-pyridin-2-ylsulfanylethyl)aniline.

Molecular Properties

Compound Name2-methyl-N-(2-pyridin-2-ylsulfanylethyl)aniline
PubChem CID62578988
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name2-methyl-N-(2-pyridin-2-ylsulfanylethyl)aniline
SMILESCc1ccccc1NCCSc1ccccn1
InChIInChI=1S/C14H16N2S/c1-12-6-2-3-7-13(12)15-10-11-17-14-8-4-5-9-16-14/h2-9,15H,10-11H2,1H3
InChIKeyDBFIONIKHOETLE-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]aniline
CID 62579535
N-ethyl-2-pyridin-2-ylsulfanylethanamine
CID 53211548
2-methyl-N-(3-pyridin-2-ylpropyl)aniline
CID 83456107
2-methyl-N-[2-(4-methylphenyl)sulfanylethyl]aniline
CID 55194770
4-chloro-N-(2-pyridin-2-ylsulfanylethyl)aniline
CID 62577092
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
2-pyridin-2-ylsulfanylethylcarbamic acid
CID 22357478
2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyridine
CID 47105922
N-[2-(4-fluorophenyl)sulfanylethyl]-2-methylaniline
CID 55024156
N-[2-(4-bromophenyl)sulfanylethyl]-2-methylaniline
CID 63517764
N-methyl-4-pyridin-2-ylsulfanylbutan-1-amine
CID 62578791
2-methyl-N-(2-thiophen-2-ylsulfanylethyl)aniline
CID 62577112

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-pyridin-2-ylsulfanylethyl)aniline?
The IUPAC name of 2-methyl-N-(2-pyridin-2-ylsulfanylethyl)aniline (CID 62578988) is 2-methyl-N-(2-pyridin-2-ylsulfanylethyl)aniline.
What is the SMILES notation for 2-methyl-N-(2-pyridin-2-ylsulfanylethyl)aniline?
The canonical SMILES for 2-methyl-N-(2-pyridin-2-ylsulfanylethyl)aniline is Cc1ccccc1NCCSc1ccccn1.
What is the InChIKey of 2-methyl-N-(2-pyridin-2-ylsulfanylethyl)aniline?
The InChIKey is DBFIONIKHOETLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-12-6-2-3-7-13(12)15-10-11-17-14-8-4-5-9-16-14/h2-9,15H,10-11H2,1H3.
What are the key properties of 2-methyl-N-(2-pyridin-2-ylsulfanylethyl)aniline?
2-methyl-N-(2-pyridin-2-ylsulfanylethyl)aniline has a molecular weight of 244.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-pyridin-2-ylsulfanylethyl)aniline is sourced from PubChem (CID 62578988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).