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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Related Compounds

1-[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]-N-methylethanamine
CID 83123746
2-[[6-[1-(methylamino)ethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine
CID 83123422
N-methyl-1-(5-methylsulfanyl-2-pyridinyl)ethanamine
CID 83123655
N-methyl-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanamine
CID 104603311
N-methyl-1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanamine
CID 83123351
N-methyl-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine
CID 83124395
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline
CID 83117825
N-[1-[5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine
CID 83111631
(1S)-1-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 130641134
N-methyl-1-[5-(2-methylsulfonylethylsulfanyl)-2-pyridinyl]ethanamine
CID 83124400
(1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]ethanamine
CID 83124060
1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene
CID 135192592

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).