N-methyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine

C14H17N3S — CID 66066583

IUPACN-methyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine
SMILESCNC(CSc1ccc(C)cc1)c1cnccn1
InChIInChI=1S/C14H17N3S/c1-11-3-5-12(6-4-11)18-10-14(15-2)13-9-16-7-8-17-13/h3-9,14-15H,10H2,1-2H3
InChIKeyLTPNNBNJZLHUIH-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.84
Rot. Bonds5

About N-methyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine

N-methyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine (PubChem CID 66066583) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine
PubChem CID66066583
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC NameN-methyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine
SMILESCNC(CSc1ccc(C)cc1)c1cnccn1
InChIInChI=1S/C14H17N3S/c1-11-3-5-12(6-4-11)18-10-14(15-2)13-9-16-7-8-17-13/h3-9,14-15H,10H2,1-2H3
InChIKeyLTPNNBNJZLHUIH-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine
CID 66066987
3-[1-(methylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-4-amine
CID 66065398
2-butan-2-ylsulfanyl-N-methyl-1-pyrazin-2-ylethanamine
CID 65136135
N,4,4-trimethyl-1-pyrazin-2-ylpentan-1-amine
CID 62601001
(3R)-3-(methylamino)-3-pyrazin-2-ylpropan-1-ol
CID 96762763
2-(4-bromophenyl)sulfanyl-1-pyrazin-2-ylethanol
CID 66054291
2-(2-methoxy-5-methylphenyl)-N-methyl-1-pyrazin-2-ylethanamine
CID 62160695
1-(2-fluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066784
2-(4-bromophenyl)sulfanyl-1-pyrazin-2-ylethanamine
CID 66055692
N-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-ylsulfanylethanamine
CID 64627425
N-methyl-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine
CID 63192034
N-[1-(4-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine
CID 64626215

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine?
The IUPAC name of N-methyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine (CID 66066583) is N-methyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine.
What is the SMILES notation for N-methyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine?
The canonical SMILES for N-methyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine is CNC(CSc1ccc(C)cc1)c1cnccn1.
What is the InChIKey of N-methyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine?
The InChIKey is LTPNNBNJZLHUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-11-3-5-12(6-4-11)18-10-14(15-2)13-9-16-7-8-17-13/h3-9,14-15H,10H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine?
N-methyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine has a molecular weight of 259.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine is sourced from PubChem (CID 66066583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).