3-methyl-1-phenyl-2-pyrazin-2-ylsulfanylbutan-1-amine

C15H19N3S — CID 64625617

IUPAC3-methyl-1-phenyl-2-pyrazin-2-ylsulfanylbutan-1-amine
SMILESCC(C)C(Sc1cnccn1)C(N)c1ccccc1
InChIInChI=1S/C15H19N3S/c1-11(2)15(19-13-10-17-8-9-18-13)14(16)12-6-4-3-5-7-12/h3-11,14-15H,16H2,1-2H3
InChIKeyWGZZGZXBRSBIPR-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.29
Rot. Bonds5

About 3-methyl-1-phenyl-2-pyrazin-2-ylsulfanylbutan-1-amine

3-methyl-1-phenyl-2-pyrazin-2-ylsulfanylbutan-1-amine (PubChem CID 64625617) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 3-methyl-1-phenyl-2-pyrazin-2-ylsulfanylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-1-phenyl-2-pyrazin-2-ylsulfanylbutan-1-amine
PubChem CID64625617
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name3-methyl-1-phenyl-2-pyrazin-2-ylsulfanylbutan-1-amine
SMILESCC(C)C(Sc1cnccn1)C(N)c1ccccc1
InChIInChI=1S/C15H19N3S/c1-11(2)15(19-13-10-17-8-9-18-13)14(16)12-6-4-3-5-7-12/h3-11,14-15H,16H2,1-2H3
InChIKeyWGZZGZXBRSBIPR-UHFFFAOYSA-N
XLogP3.29
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-1-phenylbutan-1-amine
CID 64632096
(1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 78943753
1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-amine
CID 64627830
1-pyrazin-2-ylsulfanyl-1-pyridin-4-ylpropan-2-amine
CID 63380473
3-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylbutan-1-amine
CID 64626731
1-phenyl-2-pyrazin-2-ylbutan-1-amine
CID 57009177
3-phenyl-3-pyrazin-2-ylsulfanylpropanimidamide
CID 63380854
1-(3-methylphenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine
CID 63380747
2-benzylsulfanyl-3-methyl-1-phenylbutan-1-amine
CID 64622173
3-methyl-1-phenyl-2-propylsulfanylbutan-1-amine
CID 64615135
(1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanol
CID 78951685
methyl 2-phenyl-3-pyrazin-2-ylsulfanylpropanoate
CID 64566022

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-2-pyrazin-2-ylsulfanylbutan-1-amine?
The IUPAC name of 3-methyl-1-phenyl-2-pyrazin-2-ylsulfanylbutan-1-amine (CID 64625617) is 3-methyl-1-phenyl-2-pyrazin-2-ylsulfanylbutan-1-amine.
What is the SMILES notation for 3-methyl-1-phenyl-2-pyrazin-2-ylsulfanylbutan-1-amine?
The canonical SMILES for 3-methyl-1-phenyl-2-pyrazin-2-ylsulfanylbutan-1-amine is CC(C)C(Sc1cnccn1)C(N)c1ccccc1.
What is the InChIKey of 3-methyl-1-phenyl-2-pyrazin-2-ylsulfanylbutan-1-amine?
The InChIKey is WGZZGZXBRSBIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-11(2)15(19-13-10-17-8-9-18-13)14(16)12-6-4-3-5-7-12/h3-11,14-15H,16H2,1-2H3.
What are the key properties of 3-methyl-1-phenyl-2-pyrazin-2-ylsulfanylbutan-1-amine?
3-methyl-1-phenyl-2-pyrazin-2-ylsulfanylbutan-1-amine has a molecular weight of 273.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-2-pyrazin-2-ylsulfanylbutan-1-amine is sourced from PubChem (CID 64625617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).