2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]aniline

C13H14N2S — CID 102924564

IUPAC2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]aniline
SMILESCc1cc(C)nc(Sc2ccccc2N)c1
InChIInChI=1S/C13H14N2S/c1-9-7-10(2)15-13(8-9)16-12-6-4-3-5-11(12)14/h3-8H,14H2,1-2H3
InChIKeyAHTYHCQFBGKIEN-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.43
Rot. Bonds2

About 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]aniline

2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]aniline (PubChem CID 102924564) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]aniline.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]aniline
PubChem CID102924564
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]aniline
SMILESCc1cc(C)nc(Sc2ccccc2N)c1
InChIInChI=1S/C13H14N2S/c1-9-7-10(2)15-13(8-9)16-12-6-4-3-5-11(12)14/h3-8H,14H2,1-2H3
InChIKeyAHTYHCQFBGKIEN-UHFFFAOYSA-N
XLogP3.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.43
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-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzaldehyde
CID 102926074
2-(6-methylpyrimidin-4-yl)sulfanylaniline
CID 61370625
[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methylsulfanylphenyl]methanamine
CID 102925284
N-[[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]ethanamine
CID 102926107
ethyl 3-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzoate
CID 102925477
1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-fluorophenyl]-N-methylethanamine
CID 102925158
5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]isoquinolin-8-amine
CID 102924675
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]quinazolin-2-amine
CID 102927043
[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine
CID 107931496
4-chloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylaniline
CID 112740978
2-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylphenyl]ethanamine
CID 102926269
2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]aniline
CID 94673379

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]aniline?
The IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]aniline (CID 102924564) is 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]aniline.
What is the SMILES notation for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]aniline?
The canonical SMILES for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]aniline is Cc1cc(C)nc(Sc2ccccc2N)c1.
What is the InChIKey of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]aniline?
The InChIKey is AHTYHCQFBGKIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-9-7-10(2)15-13(8-9)16-12-6-4-3-5-11(12)14/h3-8H,14H2,1-2H3.
What are the key properties of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]aniline?
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]aniline has a molecular weight of 230.34 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]aniline is sourced from PubChem (CID 102924564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).