2-[(1R)-1-[(3S)-3-methylpiperazin-1-yl]sulfonylethyl]pyrazine

C11H18N4O2S — CID 98085542

IUPAC2-[(1R)-1-[(3S)-3-methylpiperazin-1-yl]sulfonylethyl]pyrazine
SMILESC[C@H](c1cnccn1)S(=O)(=O)N1CCN[C@@H](C)C1
InChIInChI=1S/C11H18N4O2S/c1-9-8-15(6-5-13-9)18(16,17)10(2)11-7-12-3-4-14-11/h3-4,7,9-10,13H,5-6,8H2,1-2H3/t9-,10+/m0/s1
InChIKeyXDWRMMYNHARIFO-VHSXEESVSA-N
MW270.36 g/mol
LogP0.16
Rot. Bonds3

About 2-[(1R)-1-[(3S)-3-methylpiperazin-1-yl]sulfonylethyl]pyrazine

2-[(1R)-1-[(3S)-3-methylpiperazin-1-yl]sulfonylethyl]pyrazine (PubChem CID 98085542) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-[(1R)-1-[(3S)-3-methylpiperazin-1-yl]sulfonylethyl]pyrazine.

Molecular Properties

Compound Name2-[(1R)-1-[(3S)-3-methylpiperazin-1-yl]sulfonylethyl]pyrazine
PubChem CID98085542
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name2-[(1R)-1-[(3S)-3-methylpiperazin-1-yl]sulfonylethyl]pyrazine
SMILESC[C@H](c1cnccn1)S(=O)(=O)N1CCN[C@@H](C)C1
InChIInChI=1S/C11H18N4O2S/c1-9-8-15(6-5-13-9)18(16,17)10(2)11-7-12-3-4-14-11/h3-4,7,9-10,13H,5-6,8H2,1-2H3/t9-,10+/m0/s1
InChIKeyXDWRMMYNHARIFO-VHSXEESVSA-N
XLogP0.16
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Pyrazin-2-yl)ethane-1-sulfonamide
CID 68974932
N,N-dimethyl-3-[methyl(1-methyl-2-pyrazin-2-ylethyl)amino]propane-1-sulfonamide
CID 91836070
2-methyl-N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]propane-2-sulfinamide
CID 68488656
2-methyl-N-[1-(5-methylpyrazin-2-yl)ethyl]propane-2-sulfinamide
CID 68797446
3,3-dimethyl-N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide
CID 70645906
N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide
CID 70653660
(S)-2-methyl-N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]propane-2-sulfinamide
CID 121397408
N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)propane-1-sulfonamide
CID 123967160
N-propan-2-yl-1-[6-(propan-2-ylsulfamoylmethyl)pyrazin-2-yl]methanesulfonamide
CID 139317371
N-(1-pyrazin-2-ylethyl)methanesulfonamide
CID 139343733
2-methyl-N-[(1R)-1-pyrazin-2-ylethyl]propane-2-sulfinamide
CID 139580370
2-methyl-N-(1-pyrazin-2-ylethyl)propane-2-sulfinamide
CID 139580372

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[(3S)-3-methylpiperazin-1-yl]sulfonylethyl]pyrazine?
The IUPAC name of 2-[(1R)-1-[(3S)-3-methylpiperazin-1-yl]sulfonylethyl]pyrazine (CID 98085542) is 2-[(1R)-1-[(3S)-3-methylpiperazin-1-yl]sulfonylethyl]pyrazine.
What is the SMILES notation for 2-[(1R)-1-[(3S)-3-methylpiperazin-1-yl]sulfonylethyl]pyrazine?
The canonical SMILES for 2-[(1R)-1-[(3S)-3-methylpiperazin-1-yl]sulfonylethyl]pyrazine is C[C@H](c1cnccn1)S(=O)(=O)N1CCN[C@@H](C)C1.
What is the InChIKey of 2-[(1R)-1-[(3S)-3-methylpiperazin-1-yl]sulfonylethyl]pyrazine?
The InChIKey is XDWRMMYNHARIFO-VHSXEESVSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-9-8-15(6-5-13-9)18(16,17)10(2)11-7-12-3-4-14-11/h3-4,7,9-10,13H,5-6,8H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of 2-[(1R)-1-[(3S)-3-methylpiperazin-1-yl]sulfonylethyl]pyrazine?
2-[(1R)-1-[(3S)-3-methylpiperazin-1-yl]sulfonylethyl]pyrazine has a molecular weight of 270.36 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[(3S)-3-methylpiperazin-1-yl]sulfonylethyl]pyrazine is sourced from PubChem (CID 98085542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).