2-tert-butylsulfanyl-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine

C13H23N3OS — CID 104515656

IUPAC2-tert-butylsulfanyl-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
SMILESCCNC(CSC(C)(C)C)c1nccnc1OC
InChIInChI=1S/C13H23N3OS/c1-6-14-10(9-18-13(2,3)4)11-12(17-5)16-8-7-15-11/h7-8,10,14H,6,9H2,1-5H3
InChIKeyQLEMVPSNCBHYPF-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.67
Rot. Bonds6

About 2-tert-butylsulfanyl-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine

2-tert-butylsulfanyl-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine (PubChem CID 104515656) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
PubChem CID104515656
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name2-tert-butylsulfanyl-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
SMILESCCNC(CSC(C)(C)C)c1nccnc1OC
InChIInChI=1S/C13H23N3OS/c1-6-14-10(9-18-13(2,3)4)11-12(17-5)16-8-7-15-11/h7-8,10,14H,6,9H2,1-5H3
InChIKeyQLEMVPSNCBHYPF-UHFFFAOYSA-N
XLogP2.67
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-tert-butylsulfanyl-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
CID 104515657
N-ethyl-1-(3-methoxypyrazin-2-yl)-2-pyridin-4-ylethanamine
CID 104515498
N-ethyl-4-methoxy-1-(3-methoxypyrazin-2-yl)pentan-1-amine
CID 105178647
3-cyclopentyl-N-ethyl-1-(3-methoxypyrazin-2-yl)propan-1-amine
CID 105032011
2-tert-butylsulfanyl-N-ethyl-1-pyrazin-2-ylethanamine
CID 65132621
2-(4-chlorophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 104515341
2-(4-bromophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 104515324
N-ethyl-1-(3-methoxypyrazin-2-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 104515805
2-(4-chlorophenoxy)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 105178614
1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine
CID 104515370
N-ethyl-1-(3-methoxypyrazin-2-yl)-2,3-dimethylbutan-1-amine
CID 105032262
N-ethyl-1-(3-methoxypyrazin-2-yl)-2-methyl-2-phenylpropan-1-amine
CID 104515547

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine?
The IUPAC name of 2-tert-butylsulfanyl-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine (CID 104515656) is 2-tert-butylsulfanyl-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine.
What is the SMILES notation for 2-tert-butylsulfanyl-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine?
The canonical SMILES for 2-tert-butylsulfanyl-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine is CCNC(CSC(C)(C)C)c1nccnc1OC.
What is the InChIKey of 2-tert-butylsulfanyl-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine?
The InChIKey is QLEMVPSNCBHYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-6-14-10(9-18-13(2,3)4)11-12(17-5)16-8-7-15-11/h7-8,10,14H,6,9H2,1-5H3.
What are the key properties of 2-tert-butylsulfanyl-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine?
2-tert-butylsulfanyl-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine is sourced from PubChem (CID 104515656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).