1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-amine

C14H17N3OS — CID 64627830

IUPAC1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-amine
SMILESCOc1ccc(C(N)C(C)Sc2cnccn2)cc1
InChIInChI=1S/C14H17N3OS/c1-10(19-13-9-16-7-8-17-13)14(15)11-3-5-12(18-2)6-4-11/h3-10,14H,15H2,1-2H3
InChIKeyUMWUOPIDQXVQEE-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.67
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-amine

1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-amine (PubChem CID 64627830) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-amine
PubChem CID64627830
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-amine
SMILESCOc1ccc(C(N)C(C)Sc2cnccn2)cc1
InChIInChI=1S/C14H17N3OS/c1-10(19-13-9-16-7-8-17-13)14(15)11-3-5-12(18-2)6-4-11/h3-10,14H,15H2,1-2H3
InChIKeyUMWUOPIDQXVQEE-UHFFFAOYSA-N
XLogP2.67
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-amine
CID 64620589
3-methyl-1-phenyl-2-pyrazin-2-ylsulfanylbutan-1-amine
CID 64625617
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-amine
CID 64619348
1-(4-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine
CID 64625732
[(4-methoxyphenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105190970
(1S)-1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 78943756
(1S)-1-(3-bromo-4-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 63380539
(1R)-1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 55247163
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
2-[1-amino-1-(4-methoxyphenyl)propan-2-yl]sulfanylacetamide
CID 114231462
1-(4-chlorophenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine
CID 63380794
2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]pyrazine
CID 65326391

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-amine (CID 64627830) is 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-amine is COc1ccc(C(N)C(C)Sc2cnccn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-amine?
The InChIKey is UMWUOPIDQXVQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10(19-13-9-16-7-8-17-13)14(15)11-3-5-12(18-2)6-4-11/h3-10,14H,15H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-amine?
1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-amine has a molecular weight of 275.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-amine is sourced from PubChem (CID 64627830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).