N-[1-(2-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine

C16H21N3S — CID 64628229

IUPACN-[1-(2-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSc1cnccn1)c1ccccc1C
InChIInChI=1S/C16H21N3S/c1-3-8-18-15(14-7-5-4-6-13(14)2)12-20-16-11-17-9-10-19-16/h4-7,9-11,15,18H,3,8,12H2,1-2H3
InChIKeyTUVMDVIPEJCSIW-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.62
Rot. Bonds7

About N-[1-(2-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine

N-[1-(2-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine (PubChem CID 64628229) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine
PubChem CID64628229
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-[1-(2-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSc1cnccn1)c1ccccc1C
InChIInChI=1S/C16H21N3S/c1-3-8-18-15(14-7-5-4-6-13(14)2)12-20-16-11-17-9-10-19-16/h4-7,9-11,15,18H,3,8,12H2,1-2H3
InChIKeyTUVMDVIPEJCSIW-UHFFFAOYSA-N
XLogP3.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethyl]propan-1-amine
CID 64627451
N-[1-(4-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine
CID 64626215
N-[1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethyl]propan-1-amine
CID 64649429
N-[1-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylethyl]propan-1-amine
CID 64647741
N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethyl]propan-1-amine
CID 64630676
N-propyl-1-pyrazin-2-ylsulfanylpentan-2-amine
CID 64625824
3-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol
CID 64928338
N-[1-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine
CID 64620409
N-[2-(4-bromophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 66274003
N-[2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethyl]propan-1-amine
CID 66053069
2-(2-methylphenyl)-2-(propylamino)ethanol
CID 61056185
N-[2-(2-methoxyethylsulfanyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 64614717

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-(2-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine (CID 64628229) is N-[1-(2-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine is CCCNC(CSc1cnccn1)c1ccccc1C.
What is the InChIKey of N-[1-(2-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine?
The InChIKey is TUVMDVIPEJCSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-3-8-18-15(14-7-5-4-6-13(14)2)12-20-16-11-17-9-10-19-16/h4-7,9-11,15,18H,3,8,12H2,1-2H3.
What are the key properties of N-[1-(2-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine?
N-[1-(2-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine has a molecular weight of 287.43 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine is sourced from PubChem (CID 64628229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).