diazanium;acetic acid;ethane-1,2-diamine;sulfite

C10H32N4O11S — CID 158754659

IUPACdiazanium;acetic acid;ethane-1,2-diamine;sulfite
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCCN.O=S([O-])[O-].[NH4+].[NH4+]
InChIInChI=1S/C2H8N2.4C2H4O2.2H3N.H2O3S/c3-1-2-4;4*1-2(3)4;;;1-4(2)3/h1-4H2;4*1H3,(H,3,4);2*1H3;(H2,1,2,3)
InChIKeyAPICYWHAORFTOA-UHFFFAOYSA-N
MW416.45 g/mol
LogP-0.98
Rot. Bonds1

About diazanium;acetic acid;ethane-1,2-diamine;sulfite

diazanium;acetic acid;ethane-1,2-diamine;sulfite (PubChem CID 158754659) has the molecular formula C10H32N4O11S and a molecular weight of 416.45 g/mol. Its IUPAC name is diazanium;acetic acid;ethane-1,2-diamine;sulfite.

Molecular Properties

Compound Namediazanium;acetic acid;ethane-1,2-diamine;sulfite
PubChem CID158754659
Molecular FormulaC10H32N4O11S
Molecular Weight416.45 g/mol
Exact Mass416.18
IUPAC Namediazanium;acetic acid;ethane-1,2-diamine;sulfite
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCCN.O=S([O-])[O-].[NH4+].[NH4+]
InChIInChI=1S/C2H8N2.4C2H4O2.2H3N.H2O3S/c3-1-2-4;4*1-2(3)4;;;1-4(2)3/h1-4H2;4*1H3,(H,3,4);2*1H3;(H2,1,2,3)
InChIKeyAPICYWHAORFTOA-UHFFFAOYSA-N
XLogP-0.98
TPSA337.43 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.45
LogP ≤ 5-0.98
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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acetic acid;chromium;ethane-1,2-diamine
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CID 160895097
CID 160895097
disodium;acetic acid;ethane-1,2-diamine;diacetate
CID 91971119
tetrasodium;acetic acid;ethane-1,2-diamine;hydride
CID 173109232
tetrapotassium;acetic acid;ethane-1,2-diamine;hydride
CID 173066017
CID 161328323
CID 161328323
acetic acid;azane;ethane-1,2-diamine;dihydrochloride
CID 175302181
acetic acid;ethane-1,2-diamine;lanthanum;terbium
CID 174691220
CID 160967655
CID 160967655

Frequently Asked Questions

What is the IUPAC name of diazanium;acetic acid;ethane-1,2-diamine;sulfite?
The IUPAC name of diazanium;acetic acid;ethane-1,2-diamine;sulfite (CID 158754659) is diazanium;acetic acid;ethane-1,2-diamine;sulfite.
What is the SMILES notation for diazanium;acetic acid;ethane-1,2-diamine;sulfite?
The canonical SMILES for diazanium;acetic acid;ethane-1,2-diamine;sulfite is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCCN.O=S([O-])[O-].[NH4+].[NH4+].
What is the InChIKey of diazanium;acetic acid;ethane-1,2-diamine;sulfite?
The InChIKey is APICYWHAORFTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.4C2H4O2.2H3N.H2O3S/c3-1-2-4;4*1-2(3)4;;;1-4(2)3/h1-4H2;4*1H3,(H,3,4);2*1H3;(H2,1,2,3).
What are the key properties of diazanium;acetic acid;ethane-1,2-diamine;sulfite?
diazanium;acetic acid;ethane-1,2-diamine;sulfite has a molecular weight of 416.45 g/mol, XLogP of -0.98, 1 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;acetic acid;ethane-1,2-diamine;sulfite is sourced from PubChem (CID 158754659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).