methanesulfonic acid;propan-1-amine

C4H13NO3S — CID 86173532

IUPACmethanesulfonic acid;propan-1-amine
SMILESCCCN.CS(=O)(=O)O
InChIInChI=1S/C3H9N.CH4O3S/c1-2-3-4;1-5(2,3)4/h2-4H2,1H3;1H3,(H,2,3,4)
InChIKeyLYCYHYFONCRQGV-UHFFFAOYSA-N
MW155.22 g/mol
LogP-0.14
Rot. Bonds1

About methanesulfonic acid;propan-1-amine

methanesulfonic acid;propan-1-amine (PubChem CID 86173532) has the molecular formula C4H13NO3S and a molecular weight of 155.22 g/mol. Its IUPAC name is methanesulfonic acid;propan-1-amine.

Molecular Properties

Compound Namemethanesulfonic acid;propan-1-amine
PubChem CID86173532
Molecular FormulaC4H13NO3S
Molecular Weight155.22 g/mol
Exact Mass155.06
IUPAC Namemethanesulfonic acid;propan-1-amine
SMILESCCCN.CS(=O)(=O)O
InChIInChI=1S/C3H9N.CH4O3S/c1-2-3-4;1-5(2,3)4/h2-4H2,1H3;1H3,(H,2,3,4)
InChIKeyLYCYHYFONCRQGV-UHFFFAOYSA-N
XLogP-0.14
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 5-0.14
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 methanesulfonic acid;propan-1-amine?
The IUPAC name of methanesulfonic acid;propan-1-amine (CID 86173532) is methanesulfonic acid;propan-1-amine.
What is the SMILES notation for methanesulfonic acid;propan-1-amine?
The canonical SMILES for methanesulfonic acid;propan-1-amine is CCCN.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;propan-1-amine?
The InChIKey is LYCYHYFONCRQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.CH4O3S/c1-2-3-4;1-5(2,3)4/h2-4H2,1H3;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;propan-1-amine?
methanesulfonic acid;propan-1-amine has a molecular weight of 155.22 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;propan-1-amine is sourced from PubChem (CID 86173532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).