1-[5-(3,4-dimethylphenyl)sulfanyl-2-pyridinyl]-N-methylethanamine

C16H20N2S — CID 83123803

IUPAC1-[5-(3,4-dimethylphenyl)sulfanyl-2-pyridinyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Sc2ccc(C)c(C)c2)cn1
InChIInChI=1S/C16H20N2S/c1-11-5-6-14(9-12(11)2)19-15-7-8-16(18-10-15)13(3)17-4/h5-10,13,17H,1-4H3
InChIKeyCQAICBOSQZVIGY-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.13
Rot. Bonds4

About 1-[5-(3,4-dimethylphenyl)sulfanyl-2-pyridinyl]-N-methylethanamine

1-[5-(3,4-dimethylphenyl)sulfanyl-2-pyridinyl]-N-methylethanamine (PubChem CID 83123803) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 1-[5-(3,4-dimethylphenyl)sulfanyl-2-pyridinyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(3,4-dimethylphenyl)sulfanyl-2-pyridinyl]-N-methylethanamine
PubChem CID83123803
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name1-[5-(3,4-dimethylphenyl)sulfanyl-2-pyridinyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Sc2ccc(C)c(C)c2)cn1
InChIInChI=1S/C16H20N2S/c1-11-5-6-14(9-12(11)2)19-15-7-8-16(18-10-15)13(3)17-4/h5-10,13,17H,1-4H3
InChIKeyCQAICBOSQZVIGY-UHFFFAOYSA-N
XLogP4.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dimethylphenyl)sulfanyl-2-pyridinyl]-N-methylethanamine?
The IUPAC name of 1-[5-(3,4-dimethylphenyl)sulfanyl-2-pyridinyl]-N-methylethanamine (CID 83123803) is 1-[5-(3,4-dimethylphenyl)sulfanyl-2-pyridinyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(3,4-dimethylphenyl)sulfanyl-2-pyridinyl]-N-methylethanamine?
The canonical SMILES for 1-[5-(3,4-dimethylphenyl)sulfanyl-2-pyridinyl]-N-methylethanamine is CNC(C)c1ccc(Sc2ccc(C)c(C)c2)cn1.
What is the InChIKey of 1-[5-(3,4-dimethylphenyl)sulfanyl-2-pyridinyl]-N-methylethanamine?
The InChIKey is CQAICBOSQZVIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-11-5-6-14(9-12(11)2)19-15-7-8-16(18-10-15)13(3)17-4/h5-10,13,17H,1-4H3.
What are the key properties of 1-[5-(3,4-dimethylphenyl)sulfanyl-2-pyridinyl]-N-methylethanamine?
1-[5-(3,4-dimethylphenyl)sulfanyl-2-pyridinyl]-N-methylethanamine has a molecular weight of 272.42 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dimethylphenyl)sulfanyl-2-pyridinyl]-N-methylethanamine is sourced from PubChem (CID 83123803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).