4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)pyridin-3-amine

C16H18N2S — CID 63772799

IUPAC4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)pyridin-3-amine
SMILESNc1cnccc1SCC1CCCc2ccccc21
InChIInChI=1S/C16H18N2S/c17-15-10-18-9-8-16(15)19-11-13-6-3-5-12-4-1-2-7-14(12)13/h1-2,4,7-10,13H,3,5-6,11,17H2
InChIKeyHOFAYAUEKHAOEY-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.88
Rot. Bonds3

About 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)pyridin-3-amine

4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)pyridin-3-amine (PubChem CID 63772799) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)pyridin-3-amine
PubChem CID63772799
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)pyridin-3-amine
SMILESNc1cnccc1SCC1CCCc2ccccc21
InChIInChI=1S/C16H18N2S/c17-15-10-18-9-8-16(15)19-11-13-6-3-5-12-4-1-2-7-14(12)13/h1-2,4,7-10,13H,3,5-6,11,17H2
InChIKeyHOFAYAUEKHAOEY-UHFFFAOYSA-N
XLogP3.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)aniline
CID 63773145
4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)aniline
CID 79147734
4-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)aniline
CID 79532990
4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)aniline
CID 79141434
1-(3-chloro-4-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 105106966
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)ethanamine
CID 63772452
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)butan-2-amine
CID 66233726
(2S)-2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid
CID 107773515
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)pyridin-3-amine?
The IUPAC name of 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)pyridin-3-amine (CID 63772799) is 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)pyridin-3-amine?
The canonical SMILES for 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)pyridin-3-amine is Nc1cnccc1SCC1CCCc2ccccc21.
What is the InChIKey of 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)pyridin-3-amine?
The InChIKey is HOFAYAUEKHAOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c17-15-10-18-9-8-16(15)19-11-13-6-3-5-12-4-1-2-7-14(12)13/h1-2,4,7-10,13H,3,5-6,11,17H2.
What are the key properties of 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)pyridin-3-amine?
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)pyridin-3-amine has a molecular weight of 270.40 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 63772799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).