2-tert-butylsulfanyl-N-ethyl-1-pyrazin-2-ylethanamine

C12H21N3S — CID 65132621

IUPAC2-tert-butylsulfanyl-N-ethyl-1-pyrazin-2-ylethanamine
SMILESCCNC(CSC(C)(C)C)c1cnccn1
InChIInChI=1S/C12H21N3S/c1-5-14-11(9-16-12(2,3)4)10-8-13-6-7-15-10/h6-8,11,14H,5,9H2,1-4H3
InChIKeyUFWMTRANMPIUJC-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.66
Rot. Bonds5

About 2-tert-butylsulfanyl-N-ethyl-1-pyrazin-2-ylethanamine

2-tert-butylsulfanyl-N-ethyl-1-pyrazin-2-ylethanamine (PubChem CID 65132621) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-ethyl-1-pyrazin-2-ylethanamine.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-ethyl-1-pyrazin-2-ylethanamine
PubChem CID65132621
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-tert-butylsulfanyl-N-ethyl-1-pyrazin-2-ylethanamine
SMILESCCNC(CSC(C)(C)C)c1cnccn1
InChIInChI=1S/C12H21N3S/c1-5-14-11(9-16-12(2,3)4)10-8-13-6-7-15-10/h6-8,11,14H,5,9H2,1-4H3
InChIKeyUFWMTRANMPIUJC-UHFFFAOYSA-N
XLogP2.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-tert-butylsulfanyl-N-ethyl-1-pyrazin-2-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-propan-2-ylsulfanyl-1-pyrazin-2-ylethanamine
CID 65132126
N-ethyl-2-propylsulfanyl-1-pyrazin-2-ylethanamine
CID 65129386
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-pyrazin-2-ylethanamine
CID 105149914
N-ethyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine
CID 66066987
N-ethyl-3,5,5-trimethyl-1-pyrazin-2-ylhexan-1-amine
CID 115860523
N-ethyl-N',N'-dimethyl-1-pyrazin-2-ylpropane-1,3-diamine
CID 115346569
2-tert-butylsulfanyl-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 104515656
N,N',N'-triethyl-1-pyrazin-2-ylpropane-1,3-diamine
CID 79087147
2-(3,5-dimethylphenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 54910869
N-ethyl-1-pyrazin-2-yl-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549862
N-ethyl-4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-amine
CID 65095551
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 104801439

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-ethyl-1-pyrazin-2-ylethanamine?
The IUPAC name of 2-tert-butylsulfanyl-N-ethyl-1-pyrazin-2-ylethanamine (CID 65132621) is 2-tert-butylsulfanyl-N-ethyl-1-pyrazin-2-ylethanamine.
What is the SMILES notation for 2-tert-butylsulfanyl-N-ethyl-1-pyrazin-2-ylethanamine?
The canonical SMILES for 2-tert-butylsulfanyl-N-ethyl-1-pyrazin-2-ylethanamine is CCNC(CSC(C)(C)C)c1cnccn1.
What is the InChIKey of 2-tert-butylsulfanyl-N-ethyl-1-pyrazin-2-ylethanamine?
The InChIKey is UFWMTRANMPIUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-5-14-11(9-16-12(2,3)4)10-8-13-6-7-15-10/h6-8,11,14H,5,9H2,1-4H3.
What are the key properties of 2-tert-butylsulfanyl-N-ethyl-1-pyrazin-2-ylethanamine?
2-tert-butylsulfanyl-N-ethyl-1-pyrazin-2-ylethanamine has a molecular weight of 239.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-ethyl-1-pyrazin-2-ylethanamine is sourced from PubChem (CID 65132621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).