cyclopropanamine;methanesulfonic acid

C4H11NO3S — CID 87564973

IUPACcyclopropanamine;methanesulfonic acid
SMILESCS(=O)(=O)O.NC1CC1
InChIInChI=1S/C3H7N.CH4O3S/c4-3-1-2-3;1-5(2,3)4/h3H,1-2,4H2;1H3,(H,2,3,4)
InChIKeyLJRLZMDOYSXFAC-UHFFFAOYSA-N
MW153.20 g/mol
LogP-0.39
Rot. Bonds

About cyclopropanamine;methanesulfonic acid

cyclopropanamine;methanesulfonic acid (PubChem CID 87564973) has the molecular formula C4H11NO3S and a molecular weight of 153.20 g/mol. Its IUPAC name is cyclopropanamine;methanesulfonic acid.

Molecular Properties

Compound Namecyclopropanamine;methanesulfonic acid
PubChem CID87564973
Molecular FormulaC4H11NO3S
Molecular Weight153.20 g/mol
Exact Mass153.05
IUPAC Namecyclopropanamine;methanesulfonic acid
SMILESCS(=O)(=O)O.NC1CC1
InChIInChI=1S/C3H7N.CH4O3S/c4-3-1-2-3;1-5(2,3)4/h3H,1-2,4H2;1H3,(H,2,3,4)
InChIKeyLJRLZMDOYSXFAC-UHFFFAOYSA-N
XLogP-0.39
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 5-0.39
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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Frequently Asked Questions

What is the IUPAC name of cyclopropanamine;methanesulfonic acid?
The IUPAC name of cyclopropanamine;methanesulfonic acid (CID 87564973) is cyclopropanamine;methanesulfonic acid.
What is the SMILES notation for cyclopropanamine;methanesulfonic acid?
The canonical SMILES for cyclopropanamine;methanesulfonic acid is CS(=O)(=O)O.NC1CC1.
What is the InChIKey of cyclopropanamine;methanesulfonic acid?
The InChIKey is LJRLZMDOYSXFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N.CH4O3S/c4-3-1-2-3;1-5(2,3)4/h3H,1-2,4H2;1H3,(H,2,3,4).
What are the key properties of cyclopropanamine;methanesulfonic acid?
cyclopropanamine;methanesulfonic acid has a molecular weight of 153.20 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanamine;methanesulfonic acid is sourced from PubChem (CID 87564973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).