ethane-1,2-diamine;methanesulfonic acid

C3H12N2O3S — CID 19004885

IUPACethane-1,2-diamine;methanesulfonic acid
SMILESCS(=O)(=O)O.NCCN
InChIInChI=1S/C2H8N2.CH4O3S/c3-1-2-4;1-5(2,3)4/h1-4H2;1H3,(H,2,3,4)
InChIKeyBLYVTARVBJWZDL-UHFFFAOYSA-N
MW156.21 g/mol
LogP-1.59
Rot. Bonds1

About ethane-1,2-diamine;methanesulfonic acid

ethane-1,2-diamine;methanesulfonic acid (PubChem CID 19004885) has the molecular formula C3H12N2O3S and a molecular weight of 156.21 g/mol. Its IUPAC name is ethane-1,2-diamine;methanesulfonic acid.

Molecular Properties

Compound Nameethane-1,2-diamine;methanesulfonic acid
PubChem CID19004885
Molecular FormulaC3H12N2O3S
Molecular Weight156.21 g/mol
Exact Mass156.06
IUPAC Nameethane-1,2-diamine;methanesulfonic acid
SMILESCS(=O)(=O)O.NCCN
InChIInChI=1S/C2H8N2.CH4O3S/c3-1-2-4;1-5(2,3)4/h1-4H2;1H3,(H,2,3,4)
InChIKeyBLYVTARVBJWZDL-UHFFFAOYSA-N
XLogP-1.59
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Ethanaminium mesylate
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Methanesulfonic acid--ethanamine (1/1)
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Ethane-1,2-diamine;ethanesulfonic acid
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N-(1,2-diaminoethyl)methanesulfonamide
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2-(Methanesulfonamido)ethylazanium
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Ethane-1,2-diamine;methanesulfonic acid
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Methanesulfonic acid;propan-1-amine
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Ethanamine;hydroxy-methyl-oxo-sulfanylidene-lambda6-sulfane
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N'-[dihydroxy(methyl)-lambda4-sulfanyl]ethane-1,2-diamine
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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 19004885) 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.NCCN.
What is the InChIKey of ethane-1,2-diamine;methanesulfonic acid?
The InChIKey is BLYVTARVBJWZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.CH4O3S/c3-1-2-4;1-5(2,3)4/h1-4H2;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 156.21 g/mol, XLogP of -1.59, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;methanesulfonic acid is sourced from PubChem (CID 19004885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).