[6-(2-methoxyphenyl)sulfanyl-3-pyridinyl]methanamine

C13H14N2OS — CID 61289983

IUPAC[6-(2-methoxyphenyl)sulfanyl-3-pyridinyl]methanamine
SMILESCOc1ccccc1Sc1ccc(CN)cn1
InChIInChI=1S/C13H14N2OS/c1-16-11-4-2-3-5-12(11)17-13-7-6-10(8-14)9-15-13/h2-7,9H,8,14H2,1H3
InChIKeyQWALOQRXHULNKB-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.70
Rot. Bonds4

About [6-(2-methoxyphenyl)sulfanyl-3-pyridinyl]methanamine

[6-(2-methoxyphenyl)sulfanyl-3-pyridinyl]methanamine (PubChem CID 61289983) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is [6-(2-methoxyphenyl)sulfanyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(2-methoxyphenyl)sulfanyl-3-pyridinyl]methanamine
PubChem CID61289983
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name[6-(2-methoxyphenyl)sulfanyl-3-pyridinyl]methanamine
SMILESCOc1ccccc1Sc1ccc(CN)cn1
InChIInChI=1S/C13H14N2OS/c1-16-11-4-2-3-5-12(11)17-13-7-6-10(8-14)9-15-13/h2-7,9H,8,14H2,1H3
InChIKeyQWALOQRXHULNKB-UHFFFAOYSA-N
XLogP2.70
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methoxyphenyl)sulfanyl-4-pyridinyl]methanamine
CID 61289802
6-(2-methoxyphenyl)sulfanylpyridine-3-carbonitrile
CID 47364170
6-(2-methoxyphenyl)sulfanylpyridine-3-carboxylic acid
CID 55136319
[4-(2-methoxyphenyl)sulfanylquinolin-3-yl]methanamine
CID 61290357
[4-[2-(2-methoxyphenyl)sulfanylethoxy]phenyl]methanamine
CID 61291497
6-(2-methoxyphenyl)sulfanyl-2-propoxypyridin-3-amine
CID 61296899
[5-[(2-methoxyphenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 62250828
[3-(2-methoxyphenyl)sulfanylpyridazin-4-yl]methanamine
CID 80514839
4-fluoro-6-(2-methoxyphenyl)sulfanylpyrimidine
CID 115417343
1-[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80651000
1-[6-(2-fluorophenyl)sulfanyl-3-pyridinyl]butan-2-amine
CID 80651373
[3-fluoro-4-[(2-methoxyphenyl)sulfanylmethyl]phenyl]methanamine
CID 61291113

Frequently Asked Questions

What is the IUPAC name of [6-(2-methoxyphenyl)sulfanyl-3-pyridinyl]methanamine?
The IUPAC name of [6-(2-methoxyphenyl)sulfanyl-3-pyridinyl]methanamine (CID 61289983) is [6-(2-methoxyphenyl)sulfanyl-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(2-methoxyphenyl)sulfanyl-3-pyridinyl]methanamine?
The canonical SMILES for [6-(2-methoxyphenyl)sulfanyl-3-pyridinyl]methanamine is COc1ccccc1Sc1ccc(CN)cn1.
What is the InChIKey of [6-(2-methoxyphenyl)sulfanyl-3-pyridinyl]methanamine?
The InChIKey is QWALOQRXHULNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-16-11-4-2-3-5-12(11)17-13-7-6-10(8-14)9-15-13/h2-7,9H,8,14H2,1H3.
What are the key properties of [6-(2-methoxyphenyl)sulfanyl-3-pyridinyl]methanamine?
[6-(2-methoxyphenyl)sulfanyl-3-pyridinyl]methanamine has a molecular weight of 246.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methoxyphenyl)sulfanyl-3-pyridinyl]methanamine is sourced from PubChem (CID 61289983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).