4-morpholin-4-ylsulfonylbutanoic acid

C8H15NO5S — CID 28513476

IUPAC4-morpholin-4-ylsulfonylbutanoic acid
SMILESO=C(O)CCCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C8H15NO5S/c10-8(11)2-1-7-15(12,13)9-3-5-14-6-4-9/h1-7H2,(H,10,11)
InChIKeyGXQHMJCFPGNUIV-UHFFFAOYSA-N
MW237.28 g/mol
LogP-0.49
Rot. Bonds5

About 4-morpholin-4-ylsulfonylbutanoic acid

4-morpholin-4-ylsulfonylbutanoic acid (PubChem CID 28513476) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonylbutanoic acid.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonylbutanoic acid
PubChem CID28513476
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name4-morpholin-4-ylsulfonylbutanoic acid
SMILESO=C(O)CCCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C8H15NO5S/c10-8(11)2-1-7-15(12,13)9-3-5-14-6-4-9/h1-7H2,(H,10,11)
InChIKeyGXQHMJCFPGNUIV-UHFFFAOYSA-N
XLogP-0.49
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonylbutanoic acid?
The IUPAC name of 4-morpholin-4-ylsulfonylbutanoic acid (CID 28513476) is 4-morpholin-4-ylsulfonylbutanoic acid.
What is the SMILES notation for 4-morpholin-4-ylsulfonylbutanoic acid?
The canonical SMILES for 4-morpholin-4-ylsulfonylbutanoic acid is O=C(O)CCCS(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-morpholin-4-ylsulfonylbutanoic acid?
The InChIKey is GXQHMJCFPGNUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c10-8(11)2-1-7-15(12,13)9-3-5-14-6-4-9/h1-7H2,(H,10,11).
What are the key properties of 4-morpholin-4-ylsulfonylbutanoic acid?
4-morpholin-4-ylsulfonylbutanoic acid has a molecular weight of 237.28 g/mol, XLogP of -0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonylbutanoic acid is sourced from PubChem (CID 28513476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).