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

C7H14N2O4S — CID 28773430

IUPAC2-(4-methylpiperazin-1-yl)sulfonylacetic acid
SMILESCN1CCN(S(=O)(=O)CC(=O)O)CC1
InChIInChI=1S/C7H14N2O4S/c1-8-2-4-9(5-3-8)14(12,13)6-7(10)11/h2-6H2,1H3,(H,10,11)
InChIKeyLTEMSUYSUQCRGJ-UHFFFAOYSA-N
MW222.27 g/mol
LogP-1.35
Rot. Bonds3

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

2-(4-methylpiperazin-1-yl)sulfonylacetic acid (PubChem CID 28773430) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)sulfonylacetic acid.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)sulfonylacetic acid
PubChem CID28773430
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name2-(4-methylpiperazin-1-yl)sulfonylacetic acid
SMILESCN1CCN(S(=O)(=O)CC(=O)O)CC1
InChIInChI=1S/C7H14N2O4S/c1-8-2-4-9(5-3-8)14(12,13)6-7(10)11/h2-6H2,1H3,(H,10,11)
InChIKeyLTEMSUYSUQCRGJ-UHFFFAOYSA-N
XLogP-1.35
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methanesulfonylpiperazin-1-yl)acetic acid
CID 16243976
2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]sulfonylacetic acid
CID 43362700
2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]sulfonylpropanoic acid
CID 61454934
4-(ethylsulfonyl)-1-Piperazineacetic acid
CID 28705094
3-(4-Ethylpiperazin-1-yl)sulfonylpropanoic acid
CID 28710097
3-[(4-methylpiperizin-1-yl)sulfonyl]-2(R)-methylpropionic acid
CID 28710109
(2S)-2-methyl-3-(4-methylpiperazin-1-yl)sulfonylpropanoic acid
CID 28710111
4-(4-Methylpiperazin-1-yl)sulfonylbutanoic acid
CID 28710157
2-(4-Tert-butylpiperazin-1-yl)sulfonylacetic acid
CID 55135343
4-Ethylsulfonylpiperazine-1-carboxylic acid
CID 59118041
2-(4-Propan-2-ylsulfonylpiperazin-1-yl)acetic acid
CID 60860075
2-Piperazin-1-ylsulfonylacetic acid
CID 61358186

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)sulfonylacetic acid?
The IUPAC name of 2-(4-methylpiperazin-1-yl)sulfonylacetic acid (CID 28773430) is 2-(4-methylpiperazin-1-yl)sulfonylacetic acid.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)sulfonylacetic acid?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)sulfonylacetic acid is CN1CCN(S(=O)(=O)CC(=O)O)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)sulfonylacetic acid?
The InChIKey is LTEMSUYSUQCRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-8-2-4-9(5-3-8)14(12,13)6-7(10)11/h2-6H2,1H3,(H,10,11).
What are the key properties of 2-(4-methylpiperazin-1-yl)sulfonylacetic acid?
2-(4-methylpiperazin-1-yl)sulfonylacetic acid has a molecular weight of 222.27 g/mol, XLogP of -1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)sulfonylacetic acid is sourced from PubChem (CID 28773430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).