azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid

C8H21N3O4S — CID 87552558

IUPACazane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
SMILESN.O=S(=O)(O)CCN1CCN(CCO)CC1
InChIInChI=1S/C8H18N2O4S.H3N/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14;/h11H,1-8H2,(H,12,13,14);1H3
InChIKeyTTXHIZGSOIHKRV-UHFFFAOYSA-N
MW255.34 g/mol
LogP-1.35
Rot. Bonds5

About azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid

azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid (PubChem CID 87552558) has the molecular formula C8H21N3O4S and a molecular weight of 255.34 g/mol. Its IUPAC name is azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid.

Molecular Properties

Compound Nameazane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
PubChem CID87552558
Molecular FormulaC8H21N3O4S
Molecular Weight255.34 g/mol
Exact Mass255.13
IUPAC Nameazane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
SMILESN.O=S(=O)(O)CCN1CCN(CCO)CC1
InChIInChI=1S/C8H18N2O4S.H3N/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14;/h11H,1-8H2,(H,12,13,14);1H3
InChIKeyTTXHIZGSOIHKRV-UHFFFAOYSA-N
XLogP-1.35
TPSA116.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid?
The IUPAC name of azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid (CID 87552558) is azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid.
What is the SMILES notation for azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid?
The canonical SMILES for azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid is N.O=S(=O)(O)CCN1CCN(CCO)CC1.
What is the InChIKey of azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid?
The InChIKey is TTXHIZGSOIHKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S.H3N/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14;/h11H,1-8H2,(H,12,13,14);1H3.
What are the key properties of azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid?
azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid has a molecular weight of 255.34 g/mol, XLogP of -1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid is sourced from PubChem (CID 87552558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).