2-[1-(2-methylpiperazin-1-yl)sulfonylethyl]pyrazine

C11H18N4O2S — CID 71637480

IUPAC2-[1-(2-methylpiperazin-1-yl)sulfonylethyl]pyrazine
SMILESCC1CNCCN1S(=O)(=O)C(C)c1cnccn1
InChIInChI=1S/C11H18N4O2S/c1-9-7-13-5-6-15(9)18(16,17)10(2)11-8-12-3-4-14-11/h3-4,8-10,13H,5-7H2,1-2H3
InChIKeyUTAIJRPSMFKULY-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.16
Rot. Bonds3

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

2-[1-(2-methylpiperazin-1-yl)sulfonylethyl]pyrazine (PubChem CID 71637480) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-[1-(2-methylpiperazin-1-yl)sulfonylethyl]pyrazine.

Molecular Properties

Compound Name2-[1-(2-methylpiperazin-1-yl)sulfonylethyl]pyrazine
PubChem CID71637480
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name2-[1-(2-methylpiperazin-1-yl)sulfonylethyl]pyrazine
SMILESCC1CNCCN1S(=O)(=O)C(C)c1cnccn1
InChIInChI=1S/C11H18N4O2S/c1-9-7-13-5-6-15(9)18(16,17)10(2)11-8-12-3-4-14-11/h3-4,8-10,13H,5-7H2,1-2H3
InChIKeyUTAIJRPSMFKULY-UHFFFAOYSA-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

(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperazine-2-carboxylic acid
CID 97162093
(2R)-2-methyl-1-[(1S)-1-pyridin-2-ylethyl]sulfonylpiperazine
CID 129372961
2-[(1S)-1-[(2S)-2-methylpiperazin-1-yl]ethyl]pyrazine
CID 86329920
2-[(1R)-1-[(3S)-3-methylpiperazin-1-yl]sulfonylethyl]pyrazine
CID 98085542
(1S)-N-[(3S)-piperidin-3-yl]-1-pyrazin-2-ylethanesulfonamide
CID 97162097
1-pyrazin-2-yl-N-pyrrolidin-3-ylethanesulfonamide;hydrochloride
CID 71637485
1-(1-pyrazin-2-ylethylsulfonyl)piperidin-4-amine
CID 71637468
[(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperidin-2-yl]methanamine
CID 97162087
(1S)-N-piperidin-4-yl-1-pyrazin-2-ylethanesulfonamide
CID 97162099
(3S)-1-[(1R)-1-pyrazin-2-ylethyl]sulfonylpiperidin-3-amine
CID 129372965
(2R)-1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperazine
CID 82755279
(2S)-1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine
CID 97163398

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpiperazin-1-yl)sulfonylethyl]pyrazine?
The IUPAC name of 2-[1-(2-methylpiperazin-1-yl)sulfonylethyl]pyrazine (CID 71637480) is 2-[1-(2-methylpiperazin-1-yl)sulfonylethyl]pyrazine.
What is the SMILES notation for 2-[1-(2-methylpiperazin-1-yl)sulfonylethyl]pyrazine?
The canonical SMILES for 2-[1-(2-methylpiperazin-1-yl)sulfonylethyl]pyrazine is CC1CNCCN1S(=O)(=O)C(C)c1cnccn1.
What is the InChIKey of 2-[1-(2-methylpiperazin-1-yl)sulfonylethyl]pyrazine?
The InChIKey is UTAIJRPSMFKULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-9-7-13-5-6-15(9)18(16,17)10(2)11-8-12-3-4-14-11/h3-4,8-10,13H,5-7H2,1-2H3.
What are the key properties of 2-[1-(2-methylpiperazin-1-yl)sulfonylethyl]pyrazine?
2-[1-(2-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-[1-(2-methylpiperazin-1-yl)sulfonylethyl]pyrazine is sourced from PubChem (CID 71637480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).