propan-2-yl 2-(5-cyanopyrazin-2-yl)sulfanylacetate

C10H11N3O2S — CID 133484164

IUPACpropan-2-yl 2-(5-cyanopyrazin-2-yl)sulfanylacetate
SMILESCC(C)OC(=O)CSc1cnc(C#N)cn1
InChIInChI=1S/C10H11N3O2S/c1-7(2)15-10(14)6-16-9-5-12-8(3-11)4-13-9/h4-5,7H,6H2,1-2H3
InChIKeyXBDLKGVPHFGTGZ-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.39
Rot. Bonds4

About propan-2-yl 2-(5-cyanopyrazin-2-yl)sulfanylacetate

propan-2-yl 2-(5-cyanopyrazin-2-yl)sulfanylacetate (PubChem CID 133484164) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is propan-2-yl 2-(5-cyanopyrazin-2-yl)sulfanylacetate.

Molecular Properties

Compound Namepropan-2-yl 2-(5-cyanopyrazin-2-yl)sulfanylacetate
PubChem CID133484164
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Namepropan-2-yl 2-(5-cyanopyrazin-2-yl)sulfanylacetate
SMILESCC(C)OC(=O)CSc1cnc(C#N)cn1
InChIInChI=1S/C10H11N3O2S/c1-7(2)15-10(14)6-16-9-5-12-8(3-11)4-13-9/h4-5,7H,6H2,1-2H3
InChIKeyXBDLKGVPHFGTGZ-UHFFFAOYSA-N
XLogP1.39
TPSA75.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(5-cyanopyrazin-2-yl)sulfanylacetate?
The IUPAC name of propan-2-yl 2-(5-cyanopyrazin-2-yl)sulfanylacetate (CID 133484164) is propan-2-yl 2-(5-cyanopyrazin-2-yl)sulfanylacetate.
What is the SMILES notation for propan-2-yl 2-(5-cyanopyrazin-2-yl)sulfanylacetate?
The canonical SMILES for propan-2-yl 2-(5-cyanopyrazin-2-yl)sulfanylacetate is CC(C)OC(=O)CSc1cnc(C#N)cn1.
What is the InChIKey of propan-2-yl 2-(5-cyanopyrazin-2-yl)sulfanylacetate?
The InChIKey is XBDLKGVPHFGTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-7(2)15-10(14)6-16-9-5-12-8(3-11)4-13-9/h4-5,7H,6H2,1-2H3.
What are the key properties of propan-2-yl 2-(5-cyanopyrazin-2-yl)sulfanylacetate?
propan-2-yl 2-(5-cyanopyrazin-2-yl)sulfanylacetate has a molecular weight of 237.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(5-cyanopyrazin-2-yl)sulfanylacetate is sourced from PubChem (CID 133484164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).