methanesulfonic acid;morpholine-4-carbaldehyde

C6H13NO5S — CID 175213764

IUPACmethanesulfonic acid;morpholine-4-carbaldehyde
SMILESCS(=O)(=O)O.O=CN1CCOCC1
InChIInChI=1S/C5H9NO2.CH4O3S/c7-5-6-1-3-8-4-2-6;1-5(2,3)4/h5H,1-4H2;1H3,(H,2,3,4)
InChIKeyKXSSDJIDHAJMSG-UHFFFAOYSA-N
MW211.24 g/mol
LogP-1.02
Rot. Bonds1

About methanesulfonic acid;morpholine-4-carbaldehyde

methanesulfonic acid;morpholine-4-carbaldehyde (PubChem CID 175213764) has the molecular formula C6H13NO5S and a molecular weight of 211.24 g/mol. Its IUPAC name is methanesulfonic acid;morpholine-4-carbaldehyde.

Molecular Properties

Compound Namemethanesulfonic acid;morpholine-4-carbaldehyde
PubChem CID175213764
Molecular FormulaC6H13NO5S
Molecular Weight211.24 g/mol
Exact Mass211.05
IUPAC Namemethanesulfonic acid;morpholine-4-carbaldehyde
SMILESCS(=O)(=O)O.O=CN1CCOCC1
InChIInChI=1S/C5H9NO2.CH4O3S/c7-5-6-1-3-8-4-2-6;1-5(2,3)4/h5H,1-4H2;1H3,(H,2,3,4)
InChIKeyKXSSDJIDHAJMSG-UHFFFAOYSA-N
XLogP-1.02
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methanesulfonic acid;morpholine-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;morpholine-4-carbaldehyde?
The IUPAC name of methanesulfonic acid;morpholine-4-carbaldehyde (CID 175213764) is methanesulfonic acid;morpholine-4-carbaldehyde.
What is the SMILES notation for methanesulfonic acid;morpholine-4-carbaldehyde?
The canonical SMILES for methanesulfonic acid;morpholine-4-carbaldehyde is CS(=O)(=O)O.O=CN1CCOCC1.
What is the InChIKey of methanesulfonic acid;morpholine-4-carbaldehyde?
The InChIKey is KXSSDJIDHAJMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.CH4O3S/c7-5-6-1-3-8-4-2-6;1-5(2,3)4/h5H,1-4H2;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;morpholine-4-carbaldehyde?
methanesulfonic acid;morpholine-4-carbaldehyde has a molecular weight of 211.24 g/mol, XLogP of -1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;morpholine-4-carbaldehyde is sourced from PubChem (CID 175213764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).