2-aminoethanesulfonic acid;2-aminoethanol;manganese;zinc;dihydrochloride

C4H16Cl2MnN2O4SZn — CID 173378884

IUPAC2-aminoethanesulfonic acid;2-aminoethanol;manganese;zinc;dihydrochloride
SMILESCl.Cl.NCCO.NCCS(=O)(=O)O.[Mn].[Zn]
InChIInChI=1S/C2H7NO3S.C2H7NO.2ClH.Mn.Zn/c3-1-2-7(4,5)6;3-1-2-4;;;;/h1-3H2,(H,4,5,6);4H,1-3H2;2*1H;;
InChIKeyDWVDXMDOTZXALU-UHFFFAOYSA-N
MW379.48 g/mol
LogP-1.39
Rot. Bonds3

About 2-aminoethanesulfonic acid;2-aminoethanol;manganese;zinc;dihydrochloride

2-aminoethanesulfonic acid;2-aminoethanol;manganese;zinc;dihydrochloride (PubChem CID 173378884) has the molecular formula C4H16Cl2MnN2O4SZn and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-aminoethanesulfonic acid;2-aminoethanol;manganese;zinc;dihydrochloride.

Molecular Properties

Compound Name2-aminoethanesulfonic acid;2-aminoethanol;manganese;zinc;dihydrochloride
PubChem CID173378884
Molecular FormulaC4H16Cl2MnN2O4SZn
Molecular Weight379.48 g/mol
Exact Mass376.89
IUPAC Name2-aminoethanesulfonic acid;2-aminoethanol;manganese;zinc;dihydrochloride
SMILESCl.Cl.NCCO.NCCS(=O)(=O)O.[Mn].[Zn]
InChIInChI=1S/C2H7NO3S.C2H7NO.2ClH.Mn.Zn/c3-1-2-7(4,5)6;3-1-2-4;;;;/h1-3H2,(H,4,5,6);4H,1-3H2;2*1H;;
InChIKeyDWVDXMDOTZXALU-UHFFFAOYSA-N
XLogP-1.39
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 174379186
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CID 53471337
strontium;2-aminoethanesulfonic acid;hydride
CID 174530602
2-aminoethanesulfonic acid;deuterium monohydride
CID 175205944
2-aminoethanesulfonic acid;formamide;hydrochloride
CID 173249387
2-aminoethanesulfonic acid;urea;hydrate
CID 134249189
2-aminoethanesulfonic acid;phosphoric acid
CID 174528492
CID 22244101
CID 22244101
2-aminoethanesulfonic acid;hexane-1,2,3,4,5,6-hexol
CID 19097590
2-amino(113C)ethanol;hydrochloride
CID 13000307
2-aminoethanol;methylsulfonylmethane
CID 174641352

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanesulfonic acid;2-aminoethanol;manganese;zinc;dihydrochloride?
The IUPAC name of 2-aminoethanesulfonic acid;2-aminoethanol;manganese;zinc;dihydrochloride (CID 173378884) is 2-aminoethanesulfonic acid;2-aminoethanol;manganese;zinc;dihydrochloride.
What is the SMILES notation for 2-aminoethanesulfonic acid;2-aminoethanol;manganese;zinc;dihydrochloride?
The canonical SMILES for 2-aminoethanesulfonic acid;2-aminoethanol;manganese;zinc;dihydrochloride is Cl.Cl.NCCO.NCCS(=O)(=O)O.[Mn].[Zn].
What is the InChIKey of 2-aminoethanesulfonic acid;2-aminoethanol;manganese;zinc;dihydrochloride?
The InChIKey is DWVDXMDOTZXALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO3S.C2H7NO.2ClH.Mn.Zn/c3-1-2-7(4,5)6;3-1-2-4;;;;/h1-3H2,(H,4,5,6);4H,1-3H2;2*1H;;.
What are the key properties of 2-aminoethanesulfonic acid;2-aminoethanol;manganese;zinc;dihydrochloride?
2-aminoethanesulfonic acid;2-aminoethanol;manganese;zinc;dihydrochloride has a molecular weight of 379.48 g/mol, XLogP of -1.39, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanesulfonic acid;2-aminoethanol;manganese;zinc;dihydrochloride is sourced from PubChem (CID 173378884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).