propyl 2-hydroxymorpholine-3-sulfonate

C7H15NO5S — CID 174555296

IUPACpropyl 2-hydroxymorpholine-3-sulfonate
SMILESCCCOS(=O)(=O)C1NCCOC1O
InChIInChI=1S/C7H15NO5S/c1-2-4-13-14(10,11)6-7(9)12-5-3-8-6/h6-9H,2-5H2,1H3
InChIKeyXFVUHKNSAXFJGW-UHFFFAOYSA-N
MW225.27 g/mol
LogP-0.99
Rot. Bonds4

About propyl 2-hydroxymorpholine-3-sulfonate

propyl 2-hydroxymorpholine-3-sulfonate (PubChem CID 174555296) has the molecular formula C7H15NO5S and a molecular weight of 225.27 g/mol. Its IUPAC name is propyl 2-hydroxymorpholine-3-sulfonate.

Molecular Properties

Compound Namepropyl 2-hydroxymorpholine-3-sulfonate
PubChem CID174555296
Molecular FormulaC7H15NO5S
Molecular Weight225.27 g/mol
Exact Mass225.07
IUPAC Namepropyl 2-hydroxymorpholine-3-sulfonate
SMILESCCCOS(=O)(=O)C1NCCOC1O
InChIInChI=1S/C7H15NO5S/c1-2-4-13-14(10,11)6-7(9)12-5-3-8-6/h6-9H,2-5H2,1H3
InChIKeyXFVUHKNSAXFJGW-UHFFFAOYSA-N
XLogP-0.99
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze propyl 2-hydroxymorpholine-3-sulfonate 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 propyl 2-hydroxymorpholine-3-sulfonate?
The IUPAC name of propyl 2-hydroxymorpholine-3-sulfonate (CID 174555296) is propyl 2-hydroxymorpholine-3-sulfonate.
What is the SMILES notation for propyl 2-hydroxymorpholine-3-sulfonate?
The canonical SMILES for propyl 2-hydroxymorpholine-3-sulfonate is CCCOS(=O)(=O)C1NCCOC1O.
What is the InChIKey of propyl 2-hydroxymorpholine-3-sulfonate?
The InChIKey is XFVUHKNSAXFJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO5S/c1-2-4-13-14(10,11)6-7(9)12-5-3-8-6/h6-9H,2-5H2,1H3.
What are the key properties of propyl 2-hydroxymorpholine-3-sulfonate?
propyl 2-hydroxymorpholine-3-sulfonate has a molecular weight of 225.27 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-hydroxymorpholine-3-sulfonate is sourced from PubChem (CID 174555296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).