2-(4-acetylpiperazin-1-yl)sulfonylacetic acid

C8H14N2O5S — CID 28773690

IUPAC2-(4-acetylpiperazin-1-yl)sulfonylacetic acid
SMILESCC(=O)N1CCN(S(=O)(=O)CC(=O)O)CC1
InChIInChI=1S/C8H14N2O5S/c1-7(11)9-2-4-10(5-3-9)16(14,15)6-8(12)13/h2-6H2,1H3,(H,12,13)
InChIKeyMFHWLZHHZKDJJV-UHFFFAOYSA-N
MW250.28 g/mol
LogP-1.44
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)sulfonylacetic acid

2-(4-acetylpiperazin-1-yl)sulfonylacetic acid (PubChem CID 28773690) has the molecular formula C8H14N2O5S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)sulfonylacetic acid.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)sulfonylacetic acid
PubChem CID28773690
Molecular FormulaC8H14N2O5S
Molecular Weight250.28 g/mol
Exact Mass250.06
IUPAC Name2-(4-acetylpiperazin-1-yl)sulfonylacetic acid
SMILESCC(=O)N1CCN(S(=O)(=O)CC(=O)O)CC1
InChIInChI=1S/C8H14N2O5S/c1-7(11)9-2-4-10(5-3-9)16(14,15)6-8(12)13/h2-6H2,1H3,(H,12,13)
InChIKeyMFHWLZHHZKDJJV-UHFFFAOYSA-N
XLogP-1.44
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 5-1.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)sulfonylacetic acid?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)sulfonylacetic acid (CID 28773690) is 2-(4-acetylpiperazin-1-yl)sulfonylacetic acid.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)sulfonylacetic acid?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)sulfonylacetic acid is CC(=O)N1CCN(S(=O)(=O)CC(=O)O)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)sulfonylacetic acid?
The InChIKey is MFHWLZHHZKDJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O5S/c1-7(11)9-2-4-10(5-3-9)16(14,15)6-8(12)13/h2-6H2,1H3,(H,12,13).
What are the key properties of 2-(4-acetylpiperazin-1-yl)sulfonylacetic acid?
2-(4-acetylpiperazin-1-yl)sulfonylacetic acid has a molecular weight of 250.28 g/mol, XLogP of -1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)sulfonylacetic acid is sourced from PubChem (CID 28773690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).