3-morpholin-4-yl-2-pyrazin-2-ylsulfanylpropanamide

C11H16N4O2S — CID 22767808

IUPAC3-morpholin-4-yl-2-pyrazin-2-ylsulfanylpropanamide
SMILESNC(=O)C(CN1CCOCC1)Sc1cnccn1
InChIInChI=1S/C11H16N4O2S/c12-11(16)9(8-15-3-5-17-6-4-15)18-10-7-13-1-2-14-10/h1-2,7,9H,3-6,8H2,(H2,12,16)
InChIKeyARNCGBWCANMWCS-UHFFFAOYSA-N
MW268.34 g/mol
LogP-0.25
Rot. Bonds5

About 3-morpholin-4-yl-2-pyrazin-2-ylsulfanylpropanamide

3-morpholin-4-yl-2-pyrazin-2-ylsulfanylpropanamide (PubChem CID 22767808) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-morpholin-4-yl-2-pyrazin-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name3-morpholin-4-yl-2-pyrazin-2-ylsulfanylpropanamide
PubChem CID22767808
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name3-morpholin-4-yl-2-pyrazin-2-ylsulfanylpropanamide
SMILESNC(=O)C(CN1CCOCC1)Sc1cnccn1
InChIInChI=1S/C11H16N4O2S/c12-11(16)9(8-15-3-5-17-6-4-15)18-10-7-13-1-2-14-10/h1-2,7,9H,3-6,8H2,(H2,12,16)
InChIKeyARNCGBWCANMWCS-UHFFFAOYSA-N
XLogP-0.25
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-2-pyrazin-2-ylsulfanylpropanamide?
The IUPAC name of 3-morpholin-4-yl-2-pyrazin-2-ylsulfanylpropanamide (CID 22767808) is 3-morpholin-4-yl-2-pyrazin-2-ylsulfanylpropanamide.
What is the SMILES notation for 3-morpholin-4-yl-2-pyrazin-2-ylsulfanylpropanamide?
The canonical SMILES for 3-morpholin-4-yl-2-pyrazin-2-ylsulfanylpropanamide is NC(=O)C(CN1CCOCC1)Sc1cnccn1.
What is the InChIKey of 3-morpholin-4-yl-2-pyrazin-2-ylsulfanylpropanamide?
The InChIKey is ARNCGBWCANMWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c12-11(16)9(8-15-3-5-17-6-4-15)18-10-7-13-1-2-14-10/h1-2,7,9H,3-6,8H2,(H2,12,16).
What are the key properties of 3-morpholin-4-yl-2-pyrazin-2-ylsulfanylpropanamide?
3-morpholin-4-yl-2-pyrazin-2-ylsulfanylpropanamide has a molecular weight of 268.34 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-2-pyrazin-2-ylsulfanylpropanamide is sourced from PubChem (CID 22767808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).