2-ethylsulfonyl-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone

C14H22N4O4S — CID 56802182

IUPAC2-ethylsulfonyl-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESCCS(=O)(=O)CC(=O)N1CCN(c2nc(C)cc(OC)n2)CC1
InChIInChI=1S/C14H22N4O4S/c1-4-23(20,21)10-13(19)17-5-7-18(8-6-17)14-15-11(2)9-12(16-14)22-3/h9H,4-8,10H2,1-3H3
InChIKeyHDBYQJXXTPHYJB-UHFFFAOYSA-N
MW342.42 g/mol
LogP-0.12
Rot. Bonds5

About 2-ethylsulfonyl-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone

2-ethylsulfonyl-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone (PubChem CID 56802182) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-ethylsulfonyl-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethylsulfonyl-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone
PubChem CID56802182
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC Name2-ethylsulfonyl-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESCCS(=O)(=O)CC(=O)N1CCN(c2nc(C)cc(OC)n2)CC1
InChIInChI=1S/C14H22N4O4S/c1-4-23(20,21)10-13(19)17-5-7-18(8-6-17)14-15-11(2)9-12(16-14)22-3/h9H,4-8,10H2,1-3H3
InChIKeyHDBYQJXXTPHYJB-UHFFFAOYSA-N
XLogP-0.12
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-ethylsulfonyl-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone (CID 56802182) is 2-ethylsulfonyl-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-ethylsulfonyl-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-ethylsulfonyl-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone is CCS(=O)(=O)CC(=O)N1CCN(c2nc(C)cc(OC)n2)CC1.
What is the InChIKey of 2-ethylsulfonyl-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is HDBYQJXXTPHYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-4-23(20,21)10-13(19)17-5-7-18(8-6-17)14-15-11(2)9-12(16-14)22-3/h9H,4-8,10H2,1-3H3.
What are the key properties of 2-ethylsulfonyl-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone?
2-ethylsulfonyl-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 342.42 g/mol, XLogP of -0.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 56802182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).