1-piperazin-1-yl-2-pyrazin-2-ylsulfanylpropan-1-one

C11H16N4OS — CID 55226486

IUPAC1-piperazin-1-yl-2-pyrazin-2-ylsulfanylpropan-1-one
SMILESCC(Sc1cnccn1)C(=O)N1CCNCC1
InChIInChI=1S/C11H16N4OS/c1-9(17-10-8-13-2-3-14-10)11(16)15-6-4-12-5-7-15/h2-3,8-9,12H,4-7H2,1H3
InChIKeyFLMMVAVDGAHMJI-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.39
Rot. Bonds3

About 1-piperazin-1-yl-2-pyrazin-2-ylsulfanylpropan-1-one

1-piperazin-1-yl-2-pyrazin-2-ylsulfanylpropan-1-one (PubChem CID 55226486) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-pyrazin-2-ylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-piperazin-1-yl-2-pyrazin-2-ylsulfanylpropan-1-one
PubChem CID55226486
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name1-piperazin-1-yl-2-pyrazin-2-ylsulfanylpropan-1-one
SMILESCC(Sc1cnccn1)C(=O)N1CCNCC1
InChIInChI=1S/C11H16N4OS/c1-9(17-10-8-13-2-3-14-10)11(16)15-6-4-12-5-7-15/h2-3,8-9,12H,4-7H2,1H3
InChIKeyFLMMVAVDGAHMJI-UHFFFAOYSA-N
XLogP0.39
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyrazin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 72040061
(2S)-2-pyrazin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 95982119
(2R)-2-pyrazin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 95982120
2-Pyrazin-2-ylsulfanylbutanamide
CID 21539475
2-pyrazin-2-ylsulfanyl-N-(pyrrolidin-1-ylmethyl)butanamide
CID 21566906
3-Morpholin-4-yl-2-pyrazin-2-ylsulfanylpropanamide
CID 22767808
N-cyclopropyl-3-morpholin-4-yl-2-pyrazin-2-ylsulfanylpropanamide
CID 22767821
N-methyl-2-pyrazin-2-ylsulfanylpropanamide
CID 130928775
N-[3-[[dimethyl(2-pyrazin-2-ylsulfanylethyl)silyl]oxy-dimethylsilyl]propyl]acetamide
CID 173809390
2-Methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutanamide
CID 55247746
2-(Propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide
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N-(2-cyanoethyl)-N-methyl-3-pyrazin-2-ylsulfanylpropanamide
CID 63381136

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-pyrazin-2-ylsulfanylpropan-1-one?
The IUPAC name of 1-piperazin-1-yl-2-pyrazin-2-ylsulfanylpropan-1-one (CID 55226486) is 1-piperazin-1-yl-2-pyrazin-2-ylsulfanylpropan-1-one.
What is the SMILES notation for 1-piperazin-1-yl-2-pyrazin-2-ylsulfanylpropan-1-one?
The canonical SMILES for 1-piperazin-1-yl-2-pyrazin-2-ylsulfanylpropan-1-one is CC(Sc1cnccn1)C(=O)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-pyrazin-2-ylsulfanylpropan-1-one?
The InChIKey is FLMMVAVDGAHMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-9(17-10-8-13-2-3-14-10)11(16)15-6-4-12-5-7-15/h2-3,8-9,12H,4-7H2,1H3.
What are the key properties of 1-piperazin-1-yl-2-pyrazin-2-ylsulfanylpropan-1-one?
1-piperazin-1-yl-2-pyrazin-2-ylsulfanylpropan-1-one has a molecular weight of 252.34 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-pyrazin-2-ylsulfanylpropan-1-one is sourced from PubChem (CID 55226486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).