ethane-1,2-diamine;methanesulfonic acid

C6H24N2O12S4 — CID 161046577

IUPACethane-1,2-diamine;methanesulfonic acid
SMILESCS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.NCCN
InChIInChI=1S/C2H8N2.4CH4O3S/c3-1-2-4;4*1-5(2,3)4/h1-4H2;4*1H3,(H,2,3,4)
InChIKeyUBOSBORBQPCZRK-UHFFFAOYSA-N
MW444.53 g/mol
LogP-3.08
Rot. Bonds1

About ethane-1,2-diamine;methanesulfonic acid

ethane-1,2-diamine;methanesulfonic acid (PubChem CID 161046577) has the molecular formula C6H24N2O12S4 and a molecular weight of 444.53 g/mol. Its IUPAC name is ethane-1,2-diamine;methanesulfonic acid.

Molecular Properties

Compound Nameethane-1,2-diamine;methanesulfonic acid
PubChem CID161046577
Molecular FormulaC6H24N2O12S4
Molecular Weight444.53 g/mol
Exact Mass444.02
IUPAC Nameethane-1,2-diamine;methanesulfonic acid
SMILESCS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.NCCN
InChIInChI=1S/C2H8N2.4CH4O3S/c3-1-2-4;4*1-5(2,3)4/h1-4H2;4*1H3,(H,2,3,4)
InChIKeyUBOSBORBQPCZRK-UHFFFAOYSA-N
XLogP-3.08
TPSA269.52 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 5-3.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

butane-1,4-diamine;methanesulfonic acid
CID 160759082
azane;ethane-1,2-diamine;sulfuric acid
CID 175425988
azane;ethane-1,2-diamine;palladium;sulfuric acid
CID 175400148
hydroxylamine;methanesulfonic acid;hydrochloride
CID 87157729
2-aminoethanol;methylsulfonylmethane
CID 174641352
copper(1+);ethane-1,2-diamine;hydrogen sulfate
CID 23344051
aminomethylphosphonic acid;methanesulfonic acid
CID 173452453
methanesulfonic acid;hydrate
CID 87278985
CID 72786756
CID 72786756
hydron;methanesulfonic acid
CID 19767432
methanesulfonic acid;stibane
CID 173129060
CID 87129852
CID 87129852

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;methanesulfonic acid?
The IUPAC name of ethane-1,2-diamine;methanesulfonic acid (CID 161046577) is ethane-1,2-diamine;methanesulfonic acid.
What is the SMILES notation for ethane-1,2-diamine;methanesulfonic acid?
The canonical SMILES for ethane-1,2-diamine;methanesulfonic acid is CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.NCCN.
What is the InChIKey of ethane-1,2-diamine;methanesulfonic acid?
The InChIKey is UBOSBORBQPCZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.4CH4O3S/c3-1-2-4;4*1-5(2,3)4/h1-4H2;4*1H3,(H,2,3,4).
What are the key properties of ethane-1,2-diamine;methanesulfonic acid?
ethane-1,2-diamine;methanesulfonic acid has a molecular weight of 444.53 g/mol, XLogP of -3.08, 1 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;methanesulfonic acid is sourced from PubChem (CID 161046577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).