morpholin-2-yl propane-1-sulfonate

C7H15NO4S — CID 174939690

IUPACmorpholin-2-yl propane-1-sulfonate
SMILESCCCS(=O)(=O)OC1CNCCO1
InChIInChI=1S/C7H15NO4S/c1-2-5-13(9,10)12-7-6-8-3-4-11-7/h7-8H,2-6H2,1H3
InChIKeyFPBKZHSGNGQIBJ-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.31
Rot. Bonds4

About morpholin-2-yl propane-1-sulfonate

morpholin-2-yl propane-1-sulfonate (PubChem CID 174939690) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is morpholin-2-yl propane-1-sulfonate.

Molecular Properties

Compound Namemorpholin-2-yl propane-1-sulfonate
PubChem CID174939690
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Namemorpholin-2-yl propane-1-sulfonate
SMILESCCCS(=O)(=O)OC1CNCCO1
InChIInChI=1S/C7H15NO4S/c1-2-5-13(9,10)12-7-6-8-3-4-11-7/h7-8H,2-6H2,1H3
InChIKeyFPBKZHSGNGQIBJ-UHFFFAOYSA-N
XLogP-0.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze morpholin-2-yl propane-1-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 morpholin-2-yl propane-1-sulfonate?
The IUPAC name of morpholin-2-yl propane-1-sulfonate (CID 174939690) is morpholin-2-yl propane-1-sulfonate.
What is the SMILES notation for morpholin-2-yl propane-1-sulfonate?
The canonical SMILES for morpholin-2-yl propane-1-sulfonate is CCCS(=O)(=O)OC1CNCCO1.
What is the InChIKey of morpholin-2-yl propane-1-sulfonate?
The InChIKey is FPBKZHSGNGQIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-2-5-13(9,10)12-7-6-8-3-4-11-7/h7-8H,2-6H2,1H3.
What are the key properties of morpholin-2-yl propane-1-sulfonate?
morpholin-2-yl propane-1-sulfonate has a molecular weight of 209.27 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-2-yl propane-1-sulfonate is sourced from PubChem (CID 174939690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).