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

C14H16N2S — CID 107644767

IUPAC2-methylsulfanyl-N-(2-pyridin-2-ylethyl)aniline
SMILESCSc1ccccc1NCCc1ccccn1
InChIInChI=1S/C14H16N2S/c1-17-14-8-3-2-7-13(14)16-11-9-12-6-4-5-10-15-12/h2-8,10,16H,9,11H2,1H3
InChIKeyPSJDAHYVSUGMPQ-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.46
Rot. Bonds5

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

2-methylsulfanyl-N-(2-pyridin-2-ylethyl)aniline (PubChem CID 107644767) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-pyridin-2-ylethyl)aniline
PubChem CID107644767
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name2-methylsulfanyl-N-(2-pyridin-2-ylethyl)aniline
SMILESCSc1ccccc1NCCc1ccccn1
InChIInChI=1S/C14H16N2S/c1-17-14-8-3-2-7-13(14)16-11-9-12-6-4-5-10-15-12/h2-8,10,16H,9,11H2,1H3
InChIKeyPSJDAHYVSUGMPQ-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

2,3-difluoro-N-(2-pyridin-2-ylethyl)aniline
CID 61076812
1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine;copper(1+);tetrafluoroborate
CID 139182393
2-methylsulfanyl-N-(2-pyridin-4-ylethyl)aniline
CID 107644727
2,5-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 60720537
3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine
CID 115200835
5-chloro-2-fluoro-N-(2-pyridin-2-ylethyl)aniline
CID 60864899
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
2-methyl-N-(3-pyridin-2-ylpropyl)aniline
CID 83456107
2-(2-pyridin-2-ylethylamino)benzamide
CID 70453940
6-N-methyl-2-methylsulfanyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80765777
2-chloro-4-fluoro-N-(2-pyridin-2-ylethyl)aniline
CID 60721568
N-methyl-2-pyridin-2-ylethanamine;hydroiodide
CID 135260552

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-pyridin-2-ylethyl)aniline?
The IUPAC name of 2-methylsulfanyl-N-(2-pyridin-2-ylethyl)aniline (CID 107644767) is 2-methylsulfanyl-N-(2-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 2-methylsulfanyl-N-(2-pyridin-2-ylethyl)aniline?
The canonical SMILES for 2-methylsulfanyl-N-(2-pyridin-2-ylethyl)aniline is CSc1ccccc1NCCc1ccccn1.
What is the InChIKey of 2-methylsulfanyl-N-(2-pyridin-2-ylethyl)aniline?
The InChIKey is PSJDAHYVSUGMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-17-14-8-3-2-7-13(14)16-11-9-12-6-4-5-10-15-12/h2-8,10,16H,9,11H2,1H3.
What are the key properties of 2-methylsulfanyl-N-(2-pyridin-2-ylethyl)aniline?
2-methylsulfanyl-N-(2-pyridin-2-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-2-ylethyl)aniline is sourced from PubChem (CID 107644767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).