methyl 2-(ethylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanoate

C12H19N3O2S — CID 55247552

IUPACmethyl 2-(ethylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanoate
SMILESCCNC(C)(CCSc1cnccn1)C(=O)OC
InChIInChI=1S/C12H19N3O2S/c1-4-15-12(2,11(16)17-3)5-8-18-10-9-13-6-7-14-10/h6-7,9,15H,4-5,8H2,1-3H3
InChIKeyYZOPLVXHRQXTGV-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.50
Rot. Bonds7

About methyl 2-(ethylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanoate

methyl 2-(ethylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanoate (PubChem CID 55247552) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is methyl 2-(ethylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanoate
PubChem CID55247552
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Namemethyl 2-(ethylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanoate
SMILESCCNC(C)(CCSc1cnccn1)C(=O)OC
InChIInChI=1S/C12H19N3O2S/c1-4-15-12(2,11(16)17-3)5-8-18-10-9-13-6-7-14-10/h6-7,9,15H,4-5,8H2,1-3H3
InChIKeyYZOPLVXHRQXTGV-UHFFFAOYSA-N
XLogP1.50
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanoate?
The IUPAC name of methyl 2-(ethylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanoate (CID 55247552) is methyl 2-(ethylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanoate.
What is the SMILES notation for methyl 2-(ethylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanoate?
The canonical SMILES for methyl 2-(ethylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanoate is CCNC(C)(CCSc1cnccn1)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanoate?
The InChIKey is YZOPLVXHRQXTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-4-15-12(2,11(16)17-3)5-8-18-10-9-13-6-7-14-10/h6-7,9,15H,4-5,8H2,1-3H3.
What are the key properties of methyl 2-(ethylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanoate?
methyl 2-(ethylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanoate has a molecular weight of 269.37 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanoate is sourced from PubChem (CID 55247552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).