6-(4-methylphenyl)sulfanyl-N-propylpyridin-2-amine

C15H18N2S — CID 80885007

IUPAC6-(4-methylphenyl)sulfanyl-N-propylpyridin-2-amine
SMILESCCCNc1cccc(Sc2ccc(C)cc2)n1
InChIInChI=1S/C15H18N2S/c1-3-11-16-14-5-4-6-15(17-14)18-13-9-7-12(2)8-10-13/h4-10H,3,11H2,1-2H3,(H,16,17)
InChIKeyIEUARHYDOXYPTP-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.36
Rot. Bonds5

About 6-(4-methylphenyl)sulfanyl-N-propylpyridin-2-amine

6-(4-methylphenyl)sulfanyl-N-propylpyridin-2-amine (PubChem CID 80885007) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 6-(4-methylphenyl)sulfanyl-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-(4-methylphenyl)sulfanyl-N-propylpyridin-2-amine
PubChem CID80885007
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name6-(4-methylphenyl)sulfanyl-N-propylpyridin-2-amine
SMILESCCCNc1cccc(Sc2ccc(C)cc2)n1
InChIInChI=1S/C15H18N2S/c1-3-11-16-14-5-4-6-15(17-14)18-13-9-7-12(2)8-10-13/h4-10H,3,11H2,1-2H3,(H,16,17)
InChIKeyIEUARHYDOXYPTP-UHFFFAOYSA-N
XLogP4.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-chlorophenyl)sulfanyl-N-propylpyridin-2-amine
CID 80887449
N-propyl-6-pyridin-4-ylsulfanylpyridin-2-amine
CID 80890762
6-(2,5-dimethylphenyl)sulfanyl-N-propylpyridin-2-amine
CID 80893381
6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine
CID 80942664
6-(3-methylbutylsulfanyl)-N-propylpyridin-2-amine
CID 107765885
6-(2,5-dimethylphenyl)sulfanyl-N-ethylpyridin-2-amine
CID 80893303
[6-(4-tert-butylphenyl)sulfanyl-2-pyridinyl]hydrazine
CID 80924040
6-[2-(diethylamino)ethylsulfanyl]-N-propylpyridin-2-amine
CID 80890812
6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80885590
6-(3,4-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine
CID 80892943
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylpyridin-2-amine
CID 102926926
N-ethyl-6-(3-fluorophenyl)sulfanylpyridin-2-amine
CID 80890333

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)sulfanyl-N-propylpyridin-2-amine?
The IUPAC name of 6-(4-methylphenyl)sulfanyl-N-propylpyridin-2-amine (CID 80885007) is 6-(4-methylphenyl)sulfanyl-N-propylpyridin-2-amine.
What is the SMILES notation for 6-(4-methylphenyl)sulfanyl-N-propylpyridin-2-amine?
The canonical SMILES for 6-(4-methylphenyl)sulfanyl-N-propylpyridin-2-amine is CCCNc1cccc(Sc2ccc(C)cc2)n1.
What is the InChIKey of 6-(4-methylphenyl)sulfanyl-N-propylpyridin-2-amine?
The InChIKey is IEUARHYDOXYPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-3-11-16-14-5-4-6-15(17-14)18-13-9-7-12(2)8-10-13/h4-10H,3,11H2,1-2H3,(H,16,17).
What are the key properties of 6-(4-methylphenyl)sulfanyl-N-propylpyridin-2-amine?
6-(4-methylphenyl)sulfanyl-N-propylpyridin-2-amine has a molecular weight of 258.39 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)sulfanyl-N-propylpyridin-2-amine is sourced from PubChem (CID 80885007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).