4-(3-ethylmorpholin-4-yl)sulfonylbutanoic acid

C10H19NO5S — CID 43612984

IUPAC4-(3-ethylmorpholin-4-yl)sulfonylbutanoic acid
SMILESCCC1COCCN1S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H19NO5S/c1-2-9-8-16-6-5-11(9)17(14,15)7-3-4-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyWTCOYGSIBKVWJJ-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.29
Rot. Bonds6

About 4-(3-ethylmorpholin-4-yl)sulfonylbutanoic acid

4-(3-ethylmorpholin-4-yl)sulfonylbutanoic acid (PubChem CID 43612984) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-(3-ethylmorpholin-4-yl)sulfonylbutanoic acid.

Molecular Properties

Compound Name4-(3-ethylmorpholin-4-yl)sulfonylbutanoic acid
PubChem CID43612984
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name4-(3-ethylmorpholin-4-yl)sulfonylbutanoic acid
SMILESCCC1COCCN1S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H19NO5S/c1-2-9-8-16-6-5-11(9)17(14,15)7-3-4-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyWTCOYGSIBKVWJJ-UHFFFAOYSA-N
XLogP0.29
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylmorpholin-4-yl)sulfonylbutanoic acid?
The IUPAC name of 4-(3-ethylmorpholin-4-yl)sulfonylbutanoic acid (CID 43612984) is 4-(3-ethylmorpholin-4-yl)sulfonylbutanoic acid.
What is the SMILES notation for 4-(3-ethylmorpholin-4-yl)sulfonylbutanoic acid?
The canonical SMILES for 4-(3-ethylmorpholin-4-yl)sulfonylbutanoic acid is CCC1COCCN1S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-(3-ethylmorpholin-4-yl)sulfonylbutanoic acid?
The InChIKey is WTCOYGSIBKVWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-2-9-8-16-6-5-11(9)17(14,15)7-3-4-10(12)13/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 4-(3-ethylmorpholin-4-yl)sulfonylbutanoic acid?
4-(3-ethylmorpholin-4-yl)sulfonylbutanoic acid has a molecular weight of 265.33 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylmorpholin-4-yl)sulfonylbutanoic acid is sourced from PubChem (CID 43612984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).