ethanamine;methanesulfonic acid

C3H11NO3S — CID 71357992

IUPACethanamine;methanesulfonic acid
SMILESCCN.CS(=O)(=O)O
InChIInChI=1S/C2H7N.CH4O3S/c1-2-3;1-5(2,3)4/h2-3H2,1H3;1H3,(H,2,3,4)
InChIKeyATWDUWYFCBVNET-UHFFFAOYSA-N
MW141.19 g/mol
LogP-0.53
Rot. Bonds

About ethanamine;methanesulfonic acid

ethanamine;methanesulfonic acid (PubChem CID 71357992) has the molecular formula C3H11NO3S and a molecular weight of 141.19 g/mol. Its IUPAC name is ethanamine;methanesulfonic acid.

Molecular Properties

Compound Nameethanamine;methanesulfonic acid
PubChem CID71357992
Molecular FormulaC3H11NO3S
Molecular Weight141.19 g/mol
Exact Mass141.05
IUPAC Nameethanamine;methanesulfonic acid
SMILESCCN.CS(=O)(=O)O
InChIInChI=1S/C2H7N.CH4O3S/c1-2-3;1-5(2,3)4/h2-3H2,1H3;1H3,(H,2,3,4)
InChIKeyATWDUWYFCBVNET-UHFFFAOYSA-N
XLogP-0.53
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Ethylmethanesulfonamide
CID 5136276
Ethanaminium mesylate
CID 56927986
Methyl-2-aminoethanesulfonic acid
CID 12093848
Ethylazanium;methyl-oxido-oxo-sulfanylidene-lambda6-sulfane
CID 21960988
2-Sulfoethylazanium
CID 23192578
N-methylsulfonylsulfanylethanamine
CID 87551065
Ethylaminomethanesulfonic acid
CID 12731395
Ethane-1,2-diamine;methanesulfonic acid
CID 19004885
Ethanamine;ethanesulfonic acid
CID 19895972
Butan-1-amine;methanesulfinic acid
CID 20330709
N-ethylmethanesulfonamide;tris(yttrium)
CID 20621256
Methanesulfonate;propylazanium
CID 21615634

Frequently Asked Questions

What is the IUPAC name of ethanamine;methanesulfonic acid?
The IUPAC name of ethanamine;methanesulfonic acid (CID 71357992) is ethanamine;methanesulfonic acid.
What is the SMILES notation for ethanamine;methanesulfonic acid?
The canonical SMILES for ethanamine;methanesulfonic acid is CCN.CS(=O)(=O)O.
What is the InChIKey of ethanamine;methanesulfonic acid?
The InChIKey is ATWDUWYFCBVNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.CH4O3S/c1-2-3;1-5(2,3)4/h2-3H2,1H3;1H3,(H,2,3,4).
What are the key properties of ethanamine;methanesulfonic acid?
ethanamine;methanesulfonic acid has a molecular weight of 141.19 g/mol, XLogP of -0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;methanesulfonic acid is sourced from PubChem (CID 71357992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).