(1S)-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-amine

C16H20N2S — CID 103938185

IUPAC(1S)-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(SCc2ccccc2C)cn1
InChIInChI=1S/C16H20N2S/c1-3-15(17)16-9-8-14(10-18-16)19-11-13-7-5-4-6-12(13)2/h4-10,15H,3,11,17H2,1-2H3/t15-/m0/s1
InChIKeyGAIUDIZCDKOFOC-HNNXBMFYSA-N
MW272.42 g/mol
LogP4.09
Rot. Bonds5

About (1S)-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-amine

(1S)-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-amine (PubChem CID 103938185) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is (1S)-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-amine
PubChem CID103938185
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name(1S)-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(SCc2ccccc2C)cn1
InChIInChI=1S/C16H20N2S/c1-3-15(17)16-9-8-14(10-18-16)19-11-13-7-5-4-6-12(13)2/h4-10,15H,3,11,17H2,1-2H3/t15-/m0/s1
InChIKeyGAIUDIZCDKOFOC-HNNXBMFYSA-N
XLogP4.09
TPSA38.91 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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine
CID 83124395
1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-amine
CID 112585115
(1R)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 113355226
(1S)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 103938124
(1S)-1-(5-propan-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 103938158
3-[[6-(1-aminopropyl)-3-pyridinyl]sulfanyl]propane-1,2-diol
CID 112585176
1-[5-(2-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 112585012
(1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 113355234
(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 113355221
5-[(2-methylphenyl)methylsulfanyl]pyridine-2-carboximidamide
CID 113321392
(1S)-1-(5-benzylsulfanyl-2-pyridinyl)propan-1-ol
CID 113355448
(1R)-1-[5-(4-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 103938100

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-amine?
The IUPAC name of (1S)-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-amine (CID 103938185) is (1S)-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-amine?
The canonical SMILES for (1S)-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-amine is CC[C@H](N)c1ccc(SCc2ccccc2C)cn1.
What is the InChIKey of (1S)-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-amine?
The InChIKey is GAIUDIZCDKOFOC-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-3-15(17)16-9-8-14(10-18-16)19-11-13-7-5-4-6-12(13)2/h4-10,15H,3,11,17H2,1-2H3/t15-/m0/s1.
What are the key properties of (1S)-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-amine?
(1S)-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-amine has a molecular weight of 272.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 103938185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).