5-[(2,4-dimethylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine

C17H22N2S — CID 63484975

IUPAC5-[(2,4-dimethylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(CSc2ccc(C)cc2C)cn1
InChIInChI=1S/C17H22N2S/c1-4-9-18-17-8-6-15(11-19-17)12-20-16-7-5-13(2)10-14(16)3/h5-8,10-11H,4,9,12H2,1-3H3,(H,18,19)
InChIKeyFOMRRIMNUAMSHR-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.81
Rot. Bonds6

About 5-[(2,4-dimethylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine

5-[(2,4-dimethylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine (PubChem CID 63484975) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 5-[(2,4-dimethylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-[(2,4-dimethylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
PubChem CID63484975
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name5-[(2,4-dimethylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(CSc2ccc(C)cc2C)cn1
InChIInChI=1S/C17H22N2S/c1-4-9-18-17-8-6-15(11-19-17)12-20-16-7-5-13(2)10-14(16)3/h5-8,10-11H,4,9,12H2,1-3H3,(H,18,19)
InChIKeyFOMRRIMNUAMSHR-UHFFFAOYSA-N
XLogP4.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 55044942
N-propyl-5-(pyrimidin-2-ylsulfanylmethyl)pyridin-2-amine
CID 62189823
N-propyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine
CID 65041419
N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]pyridin-2-amine
CID 62189614
5-(pentylsulfanylmethyl)-N-propylpyridin-2-amine
CID 107756485
5-[(4-methylphenoxy)methyl]-N-propylpyridin-2-amine
CID 62193904
5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylpyridin-2-amine
CID 62183942
[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-trimethylsilane
CID 103438735
2-[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352343
5-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine
CID 63857257
2-chloro-5-[(2,4-dimethylphenyl)sulfanylmethyl]aniline
CID 43350016
5-[(2-amino-4-methylphenyl)sulfanylmethyl]pyridin-2-amine
CID 112655209

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The IUPAC name of 5-[(2,4-dimethylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine (CID 63484975) is 5-[(2,4-dimethylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 5-[(2,4-dimethylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The canonical SMILES for 5-[(2,4-dimethylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine is CCCNc1ccc(CSc2ccc(C)cc2C)cn1.
What is the InChIKey of 5-[(2,4-dimethylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The InChIKey is FOMRRIMNUAMSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-4-9-18-17-8-6-15(11-19-17)12-20-16-7-5-13(2)10-14(16)3/h5-8,10-11H,4,9,12H2,1-3H3,(H,18,19).
What are the key properties of 5-[(2,4-dimethylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
5-[(2,4-dimethylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine has a molecular weight of 286.44 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 63484975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).