1-(3-methylphenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine

C15H19N3S — CID 63380747

IUPAC1-(3-methylphenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine
SMILESCCC(N)C(Sc1cnccn1)c1cccc(C)c1
InChIInChI=1S/C15H19N3S/c1-3-13(16)15(12-6-4-5-11(2)9-12)19-14-10-17-7-8-18-14/h4-10,13,15H,3,16H2,1-2H3
InChIKeyAINLBZSCUVMQQO-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.36
Rot. Bonds5

About 1-(3-methylphenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine

1-(3-methylphenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine (PubChem CID 63380747) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-(3-methylphenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine.

Molecular Properties

Compound Name1-(3-methylphenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine
PubChem CID63380747
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name1-(3-methylphenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine
SMILESCCC(N)C(Sc1cnccn1)c1cccc(C)c1
InChIInChI=1S/C15H19N3S/c1-3-13(16)15(12-6-4-5-11(2)9-12)19-14-10-17-7-8-18-14/h4-10,13,15H,3,16H2,1-2H3
InChIKeyAINLBZSCUVMQQO-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine
CID 63380794
1-(3,4-dimethylphenyl)sulfanyl-1-(3-methylphenyl)butan-2-amine
CID 63539409
1-(3-methylphenyl)-1-pyrimidin-4-ylsulfanylpropan-2-amine
CID 55232465
1-pyrazin-2-ylsulfanyl-1-pyridin-4-ylpropan-2-amine
CID 63380473
N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819603
3-methyl-1-phenyl-2-pyrazin-2-ylsulfanylbutan-1-amine
CID 64625617
1-(3-methylphenyl)-1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine
CID 55020772
1-N-methyl-1-(3-methylphenyl)-1-N-(2-methylsulfanylethyl)butane-1,2-diamine
CID 112657487
1-(3-methylthiophen-2-yl)-1-pyrazin-2-ylsulfanylpropan-2-amine
CID 55248128
2-(3-methylphenyl)-2-pyridin-3-ylethanamine
CID 68831421
4-amino-3-(3-methylphenyl)hexan-1-ol
CID 66091951
2-pyrazin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64626826

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine?
The IUPAC name of 1-(3-methylphenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine (CID 63380747) is 1-(3-methylphenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine.
What is the SMILES notation for 1-(3-methylphenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine?
The canonical SMILES for 1-(3-methylphenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine is CCC(N)C(Sc1cnccn1)c1cccc(C)c1.
What is the InChIKey of 1-(3-methylphenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine?
The InChIKey is AINLBZSCUVMQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-3-13(16)15(12-6-4-5-11(2)9-12)19-14-10-17-7-8-18-14/h4-10,13,15H,3,16H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine?
1-(3-methylphenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine has a molecular weight of 273.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine is sourced from PubChem (CID 63380747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).