hydrazine;2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonic acid

C8H22N4O6S2 — CID 21484546

IUPAChydrazine;2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonic acid
SMILESNN.O=S(=O)(O)CCN1CCN(CCS(=O)(=O)O)CC1
InChIInChI=1S/C8H18N2O6S2.H4N2/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16;1-2/h1-8H2,(H,11,12,13)(H,14,15,16);1-2H2
InChIKeyDXFAHBAJOQFQOG-UHFFFAOYSA-N
MW334.42 g/mol
LogP-2.80
Rot. Bonds6

About hydrazine;2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonic acid

hydrazine;2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonic acid (PubChem CID 21484546) has the molecular formula C8H22N4O6S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is hydrazine;2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonic acid.

Molecular Properties

Compound Namehydrazine;2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonic acid
PubChem CID21484546
Molecular FormulaC8H22N4O6S2
Molecular Weight334.42 g/mol
Exact Mass334.10
IUPAC Namehydrazine;2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonic acid
SMILESNN.O=S(=O)(O)CCN1CCN(CCS(=O)(=O)O)CC1
InChIInChI=1S/C8H18N2O6S2.H4N2/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16;1-2/h1-8H2,(H,11,12,13)(H,14,15,16);1-2H2
InChIKeyDXFAHBAJOQFQOG-UHFFFAOYSA-N
XLogP-2.80
TPSA167.26 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 5-2.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

CID 88531629
CID 88531629
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;dihydrochloride
CID 172776492
bis(2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid);dihydrochloride
CID 173116081
2-oxo-2-[4-(2-sulfoethyl)piperazin-1-yl]acetic acid
CID 2051307
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-sulfanylethanol
CID 87984514
acetic acid;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
CID 162316861
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-morpholin-4-ylethanesulfonic acid
CID 87217926
2-(4-pent-3-ynylpiperazin-1-yl)ethanesulfonic acid
CID 118360961
sodium;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
CID 45157594
1-[[4-(2-sulfoethyl)piperazin-1-yl]methyl]cyclopropane-1-sulfonic acid
CID 87621632
3-oxo-3-[4-(2-sulfoethyl)piperazin-1-yl]propanoic acid
CID 2051309
sodium;2-(4-ethoxypiperazin-1-yl)ethanesulfonic acid;hydride
CID 174954120

Frequently Asked Questions

What is the IUPAC name of hydrazine;2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonic acid?
The IUPAC name of hydrazine;2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonic acid (CID 21484546) is hydrazine;2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonic acid.
What is the SMILES notation for hydrazine;2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonic acid?
The canonical SMILES for hydrazine;2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonic acid is NN.O=S(=O)(O)CCN1CCN(CCS(=O)(=O)O)CC1.
What is the InChIKey of hydrazine;2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonic acid?
The InChIKey is DXFAHBAJOQFQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O6S2.H4N2/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16;1-2/h1-8H2,(H,11,12,13)(H,14,15,16);1-2H2.
What are the key properties of hydrazine;2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonic acid?
hydrazine;2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonic acid has a molecular weight of 334.42 g/mol, XLogP of -2.80, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonic acid is sourced from PubChem (CID 21484546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).