morpholin-4-yl propane-1-sulfonate

C7H15NO4S — CID 18968162

IUPACmorpholin-4-yl propane-1-sulfonate
SMILESCCCS(=O)(=O)ON1CCOCC1
InChIInChI=1S/C7H15NO4S/c1-2-7-13(9,10)12-8-3-5-11-6-4-8/h2-7H2,1H3
InChIKeyXNLFFGIJJKYYIM-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.01
Rot. Bonds4

About morpholin-4-yl propane-1-sulfonate

morpholin-4-yl propane-1-sulfonate (PubChem CID 18968162) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is morpholin-4-yl propane-1-sulfonate.

Molecular Properties

Compound Namemorpholin-4-yl propane-1-sulfonate
PubChem CID18968162
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Namemorpholin-4-yl propane-1-sulfonate
SMILESCCCS(=O)(=O)ON1CCOCC1
InChIInChI=1S/C7H15NO4S/c1-2-7-13(9,10)12-8-3-5-11-6-4-8/h2-7H2,1H3
InChIKeyXNLFFGIJJKYYIM-UHFFFAOYSA-N
XLogP-0.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
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 ≤ 105

Analyze morpholin-4-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

Related Compounds

4-Morpholinepropanesulfonic acid, sodium salt (1:1)
CID 3859613
4-Morpholineethanesulfonic acid, sodium salt (1:1)
CID 23673676
4-Morpholineethanesulfonic acid, potassium salt (1:1)
CID 23702142
4-(Ethylsulfonyl)morpholine
CID 4071453
4-(2-Methoxyethanesulfonyl)morpholine
CID 61694271
4-(Butylsulfonyl)morpholine
CID 6465074
2-Morpholin-4-ylethanesulfonate
CID 4599203
3-(N-morpholino)propanesulfonate
CID 3830057
Morpholino ethane-sulfonate
CID 17993188
4-Propan-2-ylsulfonylmorpholine
CID 22980234
Sodium morpholino-ethanesulfonate
CID 23704481
Methyl 2-morpholinoethanesulfonic acid
CID 57257868

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl propane-1-sulfonate?
The IUPAC name of morpholin-4-yl propane-1-sulfonate (CID 18968162) is morpholin-4-yl propane-1-sulfonate.
What is the SMILES notation for morpholin-4-yl propane-1-sulfonate?
The canonical SMILES for morpholin-4-yl propane-1-sulfonate is CCCS(=O)(=O)ON1CCOCC1.
What is the InChIKey of morpholin-4-yl propane-1-sulfonate?
The InChIKey is XNLFFGIJJKYYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-2-7-13(9,10)12-8-3-5-11-6-4-8/h2-7H2,1H3.
What are the key properties of morpholin-4-yl propane-1-sulfonate?
morpholin-4-yl propane-1-sulfonate has a molecular weight of 209.27 g/mol, XLogP of -0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl propane-1-sulfonate is sourced from PubChem (CID 18968162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).