[2-(3,4-dimethylphenyl)sulfanyl-3-pyridinyl]methanamine

C14H16N2S — CID 43528942

IUPAC[2-(3,4-dimethylphenyl)sulfanyl-3-pyridinyl]methanamine
SMILESCc1ccc(Sc2ncccc2CN)cc1C
InChIInChI=1S/C14H16N2S/c1-10-5-6-13(8-11(10)2)17-14-12(9-15)4-3-7-16-14/h3-8H,9,15H2,1-2H3
InChIKeyAADUVKWACCWWQG-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.31
Rot. Bonds3

About [2-(3,4-dimethylphenyl)sulfanyl-3-pyridinyl]methanamine

[2-(3,4-dimethylphenyl)sulfanyl-3-pyridinyl]methanamine (PubChem CID 43528942) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is [2-(3,4-dimethylphenyl)sulfanyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dimethylphenyl)sulfanyl-3-pyridinyl]methanamine
PubChem CID43528942
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name[2-(3,4-dimethylphenyl)sulfanyl-3-pyridinyl]methanamine
SMILESCc1ccc(Sc2ncccc2CN)cc1C
InChIInChI=1S/C14H16N2S/c1-10-5-6-13(8-11(10)2)17-14-12(9-15)4-3-7-16-14/h3-8H,9,15H2,1-2H3
InChIKeyAADUVKWACCWWQG-UHFFFAOYSA-N
XLogP3.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylphenyl)sulfanyl-3-pyridinyl]methanamine?
The IUPAC name of [2-(3,4-dimethylphenyl)sulfanyl-3-pyridinyl]methanamine (CID 43528942) is [2-(3,4-dimethylphenyl)sulfanyl-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(3,4-dimethylphenyl)sulfanyl-3-pyridinyl]methanamine?
The canonical SMILES for [2-(3,4-dimethylphenyl)sulfanyl-3-pyridinyl]methanamine is Cc1ccc(Sc2ncccc2CN)cc1C.
What is the InChIKey of [2-(3,4-dimethylphenyl)sulfanyl-3-pyridinyl]methanamine?
The InChIKey is AADUVKWACCWWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-10-5-6-13(8-11(10)2)17-14-12(9-15)4-3-7-16-14/h3-8H,9,15H2,1-2H3.
What are the key properties of [2-(3,4-dimethylphenyl)sulfanyl-3-pyridinyl]methanamine?
[2-(3,4-dimethylphenyl)sulfanyl-3-pyridinyl]methanamine has a molecular weight of 244.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylphenyl)sulfanyl-3-pyridinyl]methanamine is sourced from PubChem (CID 43528942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).