4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbutanoic acid

C10H20N2O5S — CID 43501356

IUPAC4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbutanoic acid
SMILESO=C(O)CCCS(=O)(=O)N1CCN(CCO)CC1
InChIInChI=1S/C10H20N2O5S/c13-8-7-11-3-5-12(6-4-11)18(16,17)9-1-2-10(14)15/h13H,1-9H2,(H,14,15)
InChIKeyNNHKMPZSCWVWHR-UHFFFAOYSA-N
MW280.35 g/mol
LogP-1.21
Rot. Bonds7

About 4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbutanoic acid

4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbutanoic acid (PubChem CID 43501356) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbutanoic acid.

Molecular Properties

Compound Name4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbutanoic acid
PubChem CID43501356
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbutanoic acid
SMILESO=C(O)CCCS(=O)(=O)N1CCN(CCO)CC1
InChIInChI=1S/C10H20N2O5S/c13-8-7-11-3-5-12(6-4-11)18(16,17)9-1-2-10(14)15/h13H,1-9H2,(H,14,15)
InChIKeyNNHKMPZSCWVWHR-UHFFFAOYSA-N
XLogP-1.21
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid
CID 22683899
4-[4-(dimethylsulfamoyl)piperazin-1-yl]sulfonylbutanoic acid
CID 60951985
4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]sulfonylbutanoic acid
CID 60950984
4-(4-methoxycarbonylpiperazin-1-yl)sulfonylbutanoic acid
CID 54916113
2-[4-(2-chloroethylsulfonyl)-1,4-diazepan-1-yl]ethanol
CID 107652652
1-pentyl-4-pentylsulfonylpiperazine
CID 86969430
6-(aziridin-1-yl)hexanoic acid
CID 141385441
4-(2-pyrrolidin-1-ylethylsulfonyl)butanoic acid
CID 82182602
2-[4-(2-methoxyethylsulfonyl)-1,4-diazepan-1-yl]ethanol
CID 63310144
5-(4-methylpiperidin-1-yl)sulfonylpentanoic acid
CID 28704901
2-(4-methylsulfonylpiperazin-1-yl)ethanol
CID 2762426
10-[4-(2-hydroxyethyl)piperazin-1-yl]decane-1-sulfonic acid
CID 132598884

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbutanoic acid?
The IUPAC name of 4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbutanoic acid (CID 43501356) is 4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbutanoic acid.
What is the SMILES notation for 4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbutanoic acid?
The canonical SMILES for 4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbutanoic acid is O=C(O)CCCS(=O)(=O)N1CCN(CCO)CC1.
What is the InChIKey of 4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbutanoic acid?
The InChIKey is NNHKMPZSCWVWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c13-8-7-11-3-5-12(6-4-11)18(16,17)9-1-2-10(14)15/h13H,1-9H2,(H,14,15).
What are the key properties of 4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbutanoic acid?
4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbutanoic acid has a molecular weight of 280.35 g/mol, XLogP of -1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbutanoic acid is sourced from PubChem (CID 43501356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).