2-ethoxy-4-pyrazin-2-ylsulfanylbutan-1-amine

C10H17N3OS — CID 63380958

IUPAC2-ethoxy-4-pyrazin-2-ylsulfanylbutan-1-amine
SMILESCCOC(CN)CCSc1cnccn1
InChIInChI=1S/C10H17N3OS/c1-2-14-9(7-11)3-6-15-10-8-12-4-5-13-10/h4-5,8-9H,2-3,6-7,11H2,1H3
InChIKeyUXWKXGZOGSASGZ-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.32
Rot. Bonds7

About 2-ethoxy-4-pyrazin-2-ylsulfanylbutan-1-amine

2-ethoxy-4-pyrazin-2-ylsulfanylbutan-1-amine (PubChem CID 63380958) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-ethoxy-4-pyrazin-2-ylsulfanylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-4-pyrazin-2-ylsulfanylbutan-1-amine
PubChem CID63380958
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-ethoxy-4-pyrazin-2-ylsulfanylbutan-1-amine
SMILESCCOC(CN)CCSc1cnccn1
InChIInChI=1S/C10H17N3OS/c1-2-14-9(7-11)3-6-15-10-8-12-4-5-13-10/h4-5,8-9H,2-3,6-7,11H2,1H3
InChIKeyUXWKXGZOGSASGZ-UHFFFAOYSA-N
XLogP1.32
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-pyrazin-2-ylsulfanylbutan-1-amine?
The IUPAC name of 2-ethoxy-4-pyrazin-2-ylsulfanylbutan-1-amine (CID 63380958) is 2-ethoxy-4-pyrazin-2-ylsulfanylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-4-pyrazin-2-ylsulfanylbutan-1-amine?
The canonical SMILES for 2-ethoxy-4-pyrazin-2-ylsulfanylbutan-1-amine is CCOC(CN)CCSc1cnccn1.
What is the InChIKey of 2-ethoxy-4-pyrazin-2-ylsulfanylbutan-1-amine?
The InChIKey is UXWKXGZOGSASGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-2-14-9(7-11)3-6-15-10-8-12-4-5-13-10/h4-5,8-9H,2-3,6-7,11H2,1H3.
What are the key properties of 2-ethoxy-4-pyrazin-2-ylsulfanylbutan-1-amine?
2-ethoxy-4-pyrazin-2-ylsulfanylbutan-1-amine has a molecular weight of 227.33 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-pyrazin-2-ylsulfanylbutan-1-amine is sourced from PubChem (CID 63380958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).