1-morpholin-4-ylpropane-1-sulfonic acid;3-morpholin-4-ylpropane-1-sulfonic acid

C14H30N2O8S2 — CID 175062577

IUPAC1-morpholin-4-ylpropane-1-sulfonic acid;3-morpholin-4-ylpropane-1-sulfonic acid
SMILESCCC(N1CCOCC1)S(=O)(=O)O.O=S(=O)(O)CCCN1CCOCC1
InChIInChI=1S/2C7H15NO4S/c1-2-7(13(9,10)11)8-3-5-12-6-4-8;9-13(10,11)7-1-2-8-3-5-12-6-4-8/h7H,2-6H2,1H3,(H,9,10,11);1-7H2,(H,9,10,11)
InChIKeyCXDSNYGGNCTPCS-UHFFFAOYSA-N
MW418.53 g/mol
LogP-0.46
Rot. Bonds7

About 1-morpholin-4-ylpropane-1-sulfonic acid;3-morpholin-4-ylpropane-1-sulfonic acid

1-morpholin-4-ylpropane-1-sulfonic acid;3-morpholin-4-ylpropane-1-sulfonic acid (PubChem CID 175062577) has the molecular formula C14H30N2O8S2 and a molecular weight of 418.53 g/mol. Its IUPAC name is 1-morpholin-4-ylpropane-1-sulfonic acid;3-morpholin-4-ylpropane-1-sulfonic acid.

Molecular Properties

Compound Name1-morpholin-4-ylpropane-1-sulfonic acid;3-morpholin-4-ylpropane-1-sulfonic acid
PubChem CID175062577
Molecular FormulaC14H30N2O8S2
Molecular Weight418.53 g/mol
Exact Mass418.14
IUPAC Name1-morpholin-4-ylpropane-1-sulfonic acid;3-morpholin-4-ylpropane-1-sulfonic acid
SMILESCCC(N1CCOCC1)S(=O)(=O)O.O=S(=O)(O)CCCN1CCOCC1
InChIInChI=1S/2C7H15NO4S/c1-2-7(13(9,10)11)8-3-5-12-6-4-8;9-13(10,11)7-1-2-8-3-5-12-6-4-8/h7H,2-6H2,1H3,(H,9,10,11);1-7H2,(H,9,10,11)
InChIKeyCXDSNYGGNCTPCS-UHFFFAOYSA-N
XLogP-0.46
TPSA133.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;3-morpholin-4-ylpropane-1-sulfonic acid
CID 172999805
12-morpholin-4-yldodecane-1-sulfonic acid
CID 18415240
propane-1-sulfonic acid;4-propylmorpholine
CID 118072968
1-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid
CID 19026863
CID 5478391
CID 5478391
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-morpholin-4-ylethanesulfonic acid
CID 87217926
propylsulfonyl 3-morpholin-4-ylpropane-1-sulfonate
CID 175290511
iron(3+);tris(3-morpholin-4-ylpropane-1-sulfonate)
CID 158409877
3,3-dimorpholin-4-ylpropane-1-sulfonic acid
CID 174593846
3-(2-methylmorpholin-4-yl)propane-1-sulfonic acid
CID 118436012
sodium;3-morpholin-4-ylpropane-1-sulfonate;hydrate
CID 43833364
3-(4-methylpiperidin-1-yl)propane-1-sulfonic acid
CID 167111831

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropane-1-sulfonic acid;3-morpholin-4-ylpropane-1-sulfonic acid?
The IUPAC name of 1-morpholin-4-ylpropane-1-sulfonic acid;3-morpholin-4-ylpropane-1-sulfonic acid (CID 175062577) is 1-morpholin-4-ylpropane-1-sulfonic acid;3-morpholin-4-ylpropane-1-sulfonic acid.
What is the SMILES notation for 1-morpholin-4-ylpropane-1-sulfonic acid;3-morpholin-4-ylpropane-1-sulfonic acid?
The canonical SMILES for 1-morpholin-4-ylpropane-1-sulfonic acid;3-morpholin-4-ylpropane-1-sulfonic acid is CCC(N1CCOCC1)S(=O)(=O)O.O=S(=O)(O)CCCN1CCOCC1.
What is the InChIKey of 1-morpholin-4-ylpropane-1-sulfonic acid;3-morpholin-4-ylpropane-1-sulfonic acid?
The InChIKey is CXDSNYGGNCTPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H15NO4S/c1-2-7(13(9,10)11)8-3-5-12-6-4-8;9-13(10,11)7-1-2-8-3-5-12-6-4-8/h7H,2-6H2,1H3,(H,9,10,11);1-7H2,(H,9,10,11).
What are the key properties of 1-morpholin-4-ylpropane-1-sulfonic acid;3-morpholin-4-ylpropane-1-sulfonic acid?
1-morpholin-4-ylpropane-1-sulfonic acid;3-morpholin-4-ylpropane-1-sulfonic acid has a molecular weight of 418.53 g/mol, XLogP of -0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylpropane-1-sulfonic acid;3-morpholin-4-ylpropane-1-sulfonic acid is sourced from PubChem (CID 175062577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).