2-ethoxy-3-pyrazin-2-ylsulfanylpropan-1-amine

C9H15N3OS — CID 63381003

IUPAC2-ethoxy-3-pyrazin-2-ylsulfanylpropan-1-amine
SMILESCCOC(CN)CSc1cnccn1
InChIInChI=1S/C9H15N3OS/c1-2-13-8(5-10)7-14-9-6-11-3-4-12-9/h3-4,6,8H,2,5,7,10H2,1H3
InChIKeyOJLKGJLZDBXDPM-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.93
Rot. Bonds6

About 2-ethoxy-3-pyrazin-2-ylsulfanylpropan-1-amine

2-ethoxy-3-pyrazin-2-ylsulfanylpropan-1-amine (PubChem CID 63381003) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-ethoxy-3-pyrazin-2-ylsulfanylpropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-pyrazin-2-ylsulfanylpropan-1-amine
PubChem CID63381003
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-ethoxy-3-pyrazin-2-ylsulfanylpropan-1-amine
SMILESCCOC(CN)CSc1cnccn1
InChIInChI=1S/C9H15N3OS/c1-2-13-8(5-10)7-14-9-6-11-3-4-12-9/h3-4,6,8H,2,5,7,10H2,1H3
InChIKeyOJLKGJLZDBXDPM-UHFFFAOYSA-N
XLogP0.93
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-pyrazin-2-ylsulfanylpropan-1-amine?
The IUPAC name of 2-ethoxy-3-pyrazin-2-ylsulfanylpropan-1-amine (CID 63381003) is 2-ethoxy-3-pyrazin-2-ylsulfanylpropan-1-amine.
What is the SMILES notation for 2-ethoxy-3-pyrazin-2-ylsulfanylpropan-1-amine?
The canonical SMILES for 2-ethoxy-3-pyrazin-2-ylsulfanylpropan-1-amine is CCOC(CN)CSc1cnccn1.
What is the InChIKey of 2-ethoxy-3-pyrazin-2-ylsulfanylpropan-1-amine?
The InChIKey is OJLKGJLZDBXDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-2-13-8(5-10)7-14-9-6-11-3-4-12-9/h3-4,6,8H,2,5,7,10H2,1H3.
What are the key properties of 2-ethoxy-3-pyrazin-2-ylsulfanylpropan-1-amine?
2-ethoxy-3-pyrazin-2-ylsulfanylpropan-1-amine has a molecular weight of 213.31 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-pyrazin-2-ylsulfanylpropan-1-amine is sourced from PubChem (CID 63381003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).