2-(4-ethylpiperazin-1-yl)ethanesulfonic acid

C8H17N2O3S- — CID 176515353

IUPAC2-(4-ethylpiperazin-1-yl)ethanesulfonic acid
SMILES[CH2-]CN1CCN(CCS(=O)(=O)O)CC1
InChIInChI=1S/C8H17N2O3S/c1-2-9-3-5-10(6-4-9)7-8-14(11,12)13/h1-8H2,(H,11,12,13)/q-1
InChIKeyMFWMUEGDRPLBPJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP-0.67
Rot. Bonds4

About 2-(4-ethylpiperazin-1-yl)ethanesulfonic acid

2-(4-ethylpiperazin-1-yl)ethanesulfonic acid (PubChem CID 176515353) has the molecular formula C8H17N2O3S- and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)ethanesulfonic acid.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)ethanesulfonic acid
PubChem CID176515353
Molecular FormulaC8H17N2O3S-
Molecular Weight221.30 g/mol
Exact Mass221.10
IUPAC Name2-(4-ethylpiperazin-1-yl)ethanesulfonic acid
SMILES[CH2-]CN1CCN(CCS(=O)(=O)O)CC1
InChIInChI=1S/C8H17N2O3S/c1-2-9-3-5-10(6-4-9)7-8-14(11,12)13/h1-8H2,(H,11,12,13)/q-1
InChIKeyMFWMUEGDRPLBPJ-UHFFFAOYSA-N
XLogP-0.67
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pipes
CID 79723
pipes disodium salt
CID 173553
1,4-Piperazinediethanesulfonic acid, potassium salt (1:2)
CID 176078
Pipes sodium
CID 23670851
Sodium 2,2'-(piperazine-1,4-diyl)di(ethane-1-sulfonate)--water (2/1/1)
CID 16211644
1,4-Piperazinedipropanesulfonic acid
CID 79724
ethylpiperazine-N'-ethanesulphonic acid
CID 18991377
2,2'-Piperazine-1,4-diylbisethanesulfonate
CID 3822203
2-(4-Methylpiperazin-1-yl)ethane-1-sulfonyl chloride dihydrochloride
CID 139026799
2-(4-Methylpiperazin-1-yl)ethanesulfonic acid
CID 14799192
1-[4-(1-sulfoethyl)piperazin-1-yl]ethanesulfonic Acid
CID 10193124
Sodium 1,4-piperazinediethanesulfonate (3:2)
CID 16219843

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)ethanesulfonic acid?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)ethanesulfonic acid (CID 176515353) is 2-(4-ethylpiperazin-1-yl)ethanesulfonic acid.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)ethanesulfonic acid?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)ethanesulfonic acid is [CH2-]CN1CCN(CCS(=O)(=O)O)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)ethanesulfonic acid?
The InChIKey is MFWMUEGDRPLBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2O3S/c1-2-9-3-5-10(6-4-9)7-8-14(11,12)13/h1-8H2,(H,11,12,13)/q-1.
What are the key properties of 2-(4-ethylpiperazin-1-yl)ethanesulfonic acid?
2-(4-ethylpiperazin-1-yl)ethanesulfonic acid has a molecular weight of 221.30 g/mol, XLogP of -0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)ethanesulfonic acid is sourced from PubChem (CID 176515353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).