6-(2,5-dimethylphenyl)sulfanyl-N-propylpyridin-2-amine

C16H20N2S — CID 80893381

IUPAC6-(2,5-dimethylphenyl)sulfanyl-N-propylpyridin-2-amine
SMILESCCCNc1cccc(Sc2cc(C)ccc2C)n1
InChIInChI=1S/C16H20N2S/c1-4-10-17-15-6-5-7-16(18-15)19-14-11-12(2)8-9-13(14)3/h5-9,11H,4,10H2,1-3H3,(H,17,18)
InChIKeyHQARDUFEOSPXSM-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.67
Rot. Bonds5

About 6-(2,5-dimethylphenyl)sulfanyl-N-propylpyridin-2-amine

6-(2,5-dimethylphenyl)sulfanyl-N-propylpyridin-2-amine (PubChem CID 80893381) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 6-(2,5-dimethylphenyl)sulfanyl-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-(2,5-dimethylphenyl)sulfanyl-N-propylpyridin-2-amine
PubChem CID80893381
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name6-(2,5-dimethylphenyl)sulfanyl-N-propylpyridin-2-amine
SMILESCCCNc1cccc(Sc2cc(C)ccc2C)n1
InChIInChI=1S/C16H20N2S/c1-4-10-17-15-6-5-7-16(18-15)19-14-11-12(2)8-9-13(14)3/h5-9,11H,4,10H2,1-3H3,(H,17,18)
InChIKeyHQARDUFEOSPXSM-UHFFFAOYSA-N
XLogP4.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,5-dimethylphenyl)sulfanyl-N-ethylpyridin-2-amine
CID 80893303
6-(2,5-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine
CID 80893702
6-(4-methylphenyl)sulfanyl-N-propylpyridin-2-amine
CID 80885007
6-(4-chlorophenyl)sulfanyl-N-propylpyridin-2-amine
CID 80887449
N-propyl-6-pyridin-4-ylsulfanylpyridin-2-amine
CID 80890762
6-(3-methylbutylsulfanyl)-N-propylpyridin-2-amine
CID 107765885
6-[(2,5-dimethylphenyl)sulfanylmethyl]-N-ethylpyridin-2-amine
CID 79239392
6-(3-methylphenoxy)-N-propylpyridin-2-amine
CID 80869779
6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80885590
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylpyridin-2-amine
CID 102926926
6-[2-(diethylamino)ethylsulfanyl]-N-propylpyridin-2-amine
CID 80890812
6-(2,5-dimethylphenyl)sulfanyl-2-propoxypyridin-3-amine
CID 43262808

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenyl)sulfanyl-N-propylpyridin-2-amine?
The IUPAC name of 6-(2,5-dimethylphenyl)sulfanyl-N-propylpyridin-2-amine (CID 80893381) is 6-(2,5-dimethylphenyl)sulfanyl-N-propylpyridin-2-amine.
What is the SMILES notation for 6-(2,5-dimethylphenyl)sulfanyl-N-propylpyridin-2-amine?
The canonical SMILES for 6-(2,5-dimethylphenyl)sulfanyl-N-propylpyridin-2-amine is CCCNc1cccc(Sc2cc(C)ccc2C)n1.
What is the InChIKey of 6-(2,5-dimethylphenyl)sulfanyl-N-propylpyridin-2-amine?
The InChIKey is HQARDUFEOSPXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-4-10-17-15-6-5-7-16(18-15)19-14-11-12(2)8-9-13(14)3/h5-9,11H,4,10H2,1-3H3,(H,17,18).
What are the key properties of 6-(2,5-dimethylphenyl)sulfanyl-N-propylpyridin-2-amine?
6-(2,5-dimethylphenyl)sulfanyl-N-propylpyridin-2-amine has a molecular weight of 272.42 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenyl)sulfanyl-N-propylpyridin-2-amine is sourced from PubChem (CID 80893381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).