6-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine

C18H24N2S — CID 79233414

IUPAC6-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
SMILESCCCNc1cccc(CSc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C18H24N2S/c1-4-12-19-18-7-5-6-16(20-18)13-21-17-10-8-15(9-11-17)14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H,19,20)
InChIKeyDFAIFUUVLWRDJL-UHFFFAOYSA-N
MW300.47 g/mol
LogP5.32
Rot. Bonds7

About 6-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine

6-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine (PubChem CID 79233414) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 6-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
PubChem CID79233414
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name6-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
SMILESCCCNc1cccc(CSc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C18H24N2S/c1-4-12-19-18-7-5-6-16(20-18)13-21-17-10-8-15(9-11-17)14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H,19,20)
InChIKeyDFAIFUUVLWRDJL-UHFFFAOYSA-N
XLogP5.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.47
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 79239390
N-methyl-6-[(4-propan-2-ylphenyl)sulfanylmethyl]pyridin-2-amine
CID 79239474
5-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103059685
3-[[6-(propylamino)-2-pyridinyl]methylsulfanyl]propane-1,2-diol
CID 79671978
6-N-[(4-propan-2-ylphenyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80793098
6-[(2-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 79238892
6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 79239053
6-[(4-chlorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine
CID 79239984
6-(3-methylbutylsulfanyl)-N-propylpyridin-2-amine
CID 107765885
5-chloro-6-[(4-chlorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 63486396
6-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine
CID 112664312
6-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyridin-2-amine
CID 79243531

Frequently Asked Questions

What is the IUPAC name of 6-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The IUPAC name of 6-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine (CID 79233414) is 6-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 6-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The canonical SMILES for 6-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine is CCCNc1cccc(CSc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 6-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The InChIKey is DFAIFUUVLWRDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-4-12-19-18-7-5-6-16(20-18)13-21-17-10-8-15(9-11-17)14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H,19,20).
What are the key properties of 6-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
6-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine has a molecular weight of 300.47 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 79233414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).