propyl morpholine-4-sulfonate

C7H15NO4S — CID 57271345

IUPACpropyl morpholine-4-sulfonate
SMILESCCCOS(=O)(=O)N1CCOCC1
InChIInChI=1S/C7H15NO4S/c1-2-5-12-13(9,10)8-3-6-11-7-4-8/h2-7H2,1H3
InChIKeyDYMRLOPRQIFVKP-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.01
Rot. Bonds4

About propyl morpholine-4-sulfonate

propyl morpholine-4-sulfonate (PubChem CID 57271345) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is propyl morpholine-4-sulfonate.

Molecular Properties

Compound Namepropyl morpholine-4-sulfonate
PubChem CID57271345
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Namepropyl morpholine-4-sulfonate
SMILESCCCOS(=O)(=O)N1CCOCC1
InChIInChI=1S/C7H15NO4S/c1-2-5-12-13(9,10)8-3-6-11-7-4-8/h2-7H2,1H3
InChIKeyDYMRLOPRQIFVKP-UHFFFAOYSA-N
XLogP-0.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl morpholine-4-sulfonate?
The IUPAC name of propyl morpholine-4-sulfonate (CID 57271345) is propyl morpholine-4-sulfonate.
What is the SMILES notation for propyl morpholine-4-sulfonate?
The canonical SMILES for propyl morpholine-4-sulfonate is CCCOS(=O)(=O)N1CCOCC1.
What is the InChIKey of propyl morpholine-4-sulfonate?
The InChIKey is DYMRLOPRQIFVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-2-5-12-13(9,10)8-3-6-11-7-4-8/h2-7H2,1H3.
What are the key properties of propyl morpholine-4-sulfonate?
propyl morpholine-4-sulfonate has a molecular weight of 209.27 g/mol, XLogP of -0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl morpholine-4-sulfonate is sourced from PubChem (CID 57271345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).