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

C10H22N2O4S — CID 57487837

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]butane-1-sulfonic acid
SMILESCCCC(N1CCN(CCO)CC1)S(=O)(=O)O
InChIInChI=1S/C10H22N2O4S/c1-2-3-10(17(14,15)16)12-6-4-11(5-7-12)8-9-13/h10,13H,2-9H2,1H3,(H,14,15,16)
InChIKeyFDDAUWCKEPRCCL-UHFFFAOYSA-N
MW266.36 g/mol
LogP-0.39
Rot. Bonds6

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

1-[4-(2-hydroxyethyl)piperazin-1-yl]butane-1-sulfonic acid (PubChem CID 57487837) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]butane-1-sulfonic acid.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]butane-1-sulfonic acid
PubChem CID57487837
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]butane-1-sulfonic acid
SMILESCCCC(N1CCN(CCO)CC1)S(=O)(=O)O
InChIInChI=1S/C10H22N2O4S/c1-2-3-10(17(14,15)16)12-6-4-11(5-7-12)8-9-13/h10,13H,2-9H2,1H3,(H,14,15,16)
InChIKeyFDDAUWCKEPRCCL-UHFFFAOYSA-N
XLogP-0.39
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-(2-Hydroxyethyl)-1-piperazineethanesulfonic acid
CID 23831
Hepps
CID 85255
Sodium 2-(4-(2-hydroxyethyl)piperazin-1-yl)ethanesulfonate
CID 2724248
1,4-Piperazinedipropanesulfonic acid, beta1,beta4-dihydroxy-
CID 109211
1-Piperazinepropanesulfonic acid, beta-hydroxy-4-(2-hydroxyethyl)-
CID 100205
Hepbs
CID 9965191
HEPPSO hydrate
CID 20055623
N-(2-Hydroxyethyl)piperazine-N'-(2-hydroxypropanesulfonic acid)
CID 23706675
2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethanesulfonate
CID 3725082
[4-(2-Hydroxyethyl)-1-piperazinyl]ethanesulfonic acid
CID 18457607
Potassium 2-(4-(2-hydroxyethyl)piperazin-1-yl)ethanesulfonate
CID 23702134
(2r)-2-Hydroxy-3-[4-(2-Hydroxyethyl)piperazin-1-Yl]propane-1-Sulfonic Acid
CID 6992825

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]butane-1-sulfonic acid?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]butane-1-sulfonic acid (CID 57487837) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]butane-1-sulfonic acid.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]butane-1-sulfonic acid?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]butane-1-sulfonic acid is CCCC(N1CCN(CCO)CC1)S(=O)(=O)O.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]butane-1-sulfonic acid?
The InChIKey is FDDAUWCKEPRCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-2-3-10(17(14,15)16)12-6-4-11(5-7-12)8-9-13/h10,13H,2-9H2,1H3,(H,14,15,16).
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]butane-1-sulfonic acid?
1-[4-(2-hydroxyethyl)piperazin-1-yl]butane-1-sulfonic acid has a molecular weight of 266.36 g/mol, XLogP of -0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperazin-1-yl]butane-1-sulfonic acid is sourced from PubChem (CID 57487837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).