2-(2-pyridin-2-ylethylsulfanyl)aniline

C13H14N2S — CID 12029846

IUPAC2-(2-pyridin-2-ylethylsulfanyl)aniline
SMILESNc1ccccc1SCCc1ccccn1
InChIInChI=1S/C13H14N2S/c14-12-6-1-2-7-13(12)16-10-8-11-5-3-4-9-15-11/h1-7,9H,8,10,14H2
InChIKeyLJVUHHSSVHABIO-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.00
Rot. Bonds4

About 2-(2-pyridin-2-ylethylsulfanyl)aniline

2-(2-pyridin-2-ylethylsulfanyl)aniline (PubChem CID 12029846) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylethylsulfanyl)aniline.

Molecular Properties

Compound Name2-(2-pyridin-2-ylethylsulfanyl)aniline
PubChem CID12029846
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name2-(2-pyridin-2-ylethylsulfanyl)aniline
SMILESNc1ccccc1SCCc1ccccn1
InChIInChI=1S/C13H14N2S/c14-12-6-1-2-7-13(12)16-10-8-11-5-3-4-9-15-11/h1-7,9H,8,10,14H2
InChIKeyLJVUHHSSVHABIO-UHFFFAOYSA-N
XLogP3.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-chlorophenyl)sulfanylethyl]pyridine
CID 78815813
2-(2-pyridin-2-ylethylsulfanyl)-5-(trifluoromethyl)aniline
CID 60890511
5-(2-pyridin-2-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 14880955
2-amino-4,6-bis(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile
CID 18507436
2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridine
CID 873007
2-(2-fluoroethyl)pyridine
CID 23246235
2-methyl-3-(2-pyridin-2-ylethylsulfanyl)propan-1-amine
CID 66225834
4-fluoro-2-(pyridin-2-ylmethylsulfanyl)aniline
CID 79148713
2-(3-chloropropylsulfanyl)aniline;hydrochloride
CID 142778993
3-(2-pyridin-2-ylethylsulfanyl)propane-1,2-diol
CID 79682874
ethylsulfanyl(2-pyridin-2-ylethylsulfanyl)methanone
CID 11138878
2-[2-(4-chlorophenyl)ethylsulfanyl]aniline
CID 101473757

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylethylsulfanyl)aniline?
The IUPAC name of 2-(2-pyridin-2-ylethylsulfanyl)aniline (CID 12029846) is 2-(2-pyridin-2-ylethylsulfanyl)aniline.
What is the SMILES notation for 2-(2-pyridin-2-ylethylsulfanyl)aniline?
The canonical SMILES for 2-(2-pyridin-2-ylethylsulfanyl)aniline is Nc1ccccc1SCCc1ccccn1.
What is the InChIKey of 2-(2-pyridin-2-ylethylsulfanyl)aniline?
The InChIKey is LJVUHHSSVHABIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c14-12-6-1-2-7-13(12)16-10-8-11-5-3-4-9-15-11/h1-7,9H,8,10,14H2.
What are the key properties of 2-(2-pyridin-2-ylethylsulfanyl)aniline?
2-(2-pyridin-2-ylethylsulfanyl)aniline has a molecular weight of 230.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-ylethylsulfanyl)aniline is sourced from PubChem (CID 12029846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).