(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperazine-2-carboxylic acid

C11H16N4O4S — CID 97162093

IUPAC(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperazine-2-carboxylic acid
SMILESC[C@@H](c1cnccn1)S(=O)(=O)N1CCNC[C@@H]1C(=O)O
InChIInChI=1S/C11H16N4O4S/c1-8(9-6-12-2-3-14-9)20(18,19)15-5-4-13-7-10(15)11(16)17/h2-3,6,8,10,13H,4-5,7H2,1H3,(H,16,17)/t8-,10+/m0/s1
InChIKeyICWPKUHUTKSTQH-WCBMZHEXSA-N
MW300.34 g/mol
LogP-0.77
Rot. Bonds4

About (2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperazine-2-carboxylic acid

(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperazine-2-carboxylic acid (PubChem CID 97162093) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is (2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperazine-2-carboxylic acid
PubChem CID97162093
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC Name(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperazine-2-carboxylic acid
SMILESC[C@@H](c1cnccn1)S(=O)(=O)N1CCNC[C@@H]1C(=O)O
InChIInChI=1S/C11H16N4O4S/c1-8(9-6-12-2-3-14-9)20(18,19)15-5-4-13-7-10(15)11(16)17/h2-3,6,8,10,13H,4-5,7H2,1H3,(H,16,17)/t8-,10+/m0/s1
InChIKeyICWPKUHUTKSTQH-WCBMZHEXSA-N
XLogP-0.77
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2-methylpiperazin-1-yl)sulfonylethyl]pyrazine
CID 71637480
1-(pyridin-3-ylmethylsulfonyl)piperazine-2-carboxylic acid;hydrochloride
CID 71646376
2-[(1R)-1-[(3S)-3-methylpiperazin-1-yl]sulfonylethyl]pyrazine
CID 98085542
(1S)-N-[(3S)-piperidin-3-yl]-1-pyrazin-2-ylethanesulfonamide
CID 97162097
(2R)-2-methyl-1-[(1S)-1-pyridin-2-ylethyl]sulfonylpiperazine
CID 129372961
1-pyrazin-2-yl-N-pyrrolidin-3-ylethanesulfonamide;hydrochloride
CID 71637485
1-(1-pyrazin-2-ylethylsulfonyl)piperidin-4-amine
CID 71637468
1-(2-phenylpropylsulfonyl)piperazine-2-carboxylic acid
CID 80691983
[(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperidin-2-yl]methanamine
CID 97162087
(2S)-1-(2-oxo-2-pyrazin-2-ylethyl)piperazine-2-carboxylic acid
CID 97166506
1-sulfamoylpiperazine-2-carboxylic acid
CID 114959379
2-[(1S)-1-[(2S)-2-methylpiperazin-1-yl]ethyl]pyrazine
CID 86329920

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperazine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperazine-2-carboxylic acid (CID 97162093) is (2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperazine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperazine-2-carboxylic acid is C[C@@H](c1cnccn1)S(=O)(=O)N1CCNC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperazine-2-carboxylic acid?
The InChIKey is ICWPKUHUTKSTQH-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H16N4O4S/c1-8(9-6-12-2-3-14-9)20(18,19)15-5-4-13-7-10(15)11(16)17/h2-3,6,8,10,13H,4-5,7H2,1H3,(H,16,17)/t8-,10+/m0/s1.
What are the key properties of (2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperazine-2-carboxylic acid?
(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperazine-2-carboxylic acid has a molecular weight of 300.34 g/mol, XLogP of -0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperazine-2-carboxylic acid is sourced from PubChem (CID 97162093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).