4-(2,2-dimethylmorpholin-4-yl)sulfonylbutanoic acid

C10H19NO5S — CID 43592598

IUPAC4-(2,2-dimethylmorpholin-4-yl)sulfonylbutanoic acid
SMILESCC1(C)CN(S(=O)(=O)CCCC(=O)O)CCO1
InChIInChI=1S/C10H19NO5S/c1-10(2)8-11(5-6-16-10)17(14,15)7-3-4-9(12)13/h3-8H2,1-2H3,(H,12,13)
InChIKeyRCQHEOYXVHYEKF-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.29
Rot. Bonds5

About 4-(2,2-dimethylmorpholin-4-yl)sulfonylbutanoic acid

4-(2,2-dimethylmorpholin-4-yl)sulfonylbutanoic acid (PubChem CID 43592598) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-(2,2-dimethylmorpholin-4-yl)sulfonylbutanoic acid.

Molecular Properties

Compound Name4-(2,2-dimethylmorpholin-4-yl)sulfonylbutanoic acid
PubChem CID43592598
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name4-(2,2-dimethylmorpholin-4-yl)sulfonylbutanoic acid
SMILESCC1(C)CN(S(=O)(=O)CCCC(=O)O)CCO1
InChIInChI=1S/C10H19NO5S/c1-10(2)8-11(5-6-16-10)17(14,15)7-3-4-9(12)13/h3-8H2,1-2H3,(H,12,13)
InChIKeyRCQHEOYXVHYEKF-UHFFFAOYSA-N
XLogP0.29
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

3-(4-Morpholinylsulfonyl)propanoic acid
CID 4962731
3-Methyl-2-(morpholin-4-ylsulfonylmethyl)butanoic acid
CID 22910321
(2S)-2-methyl-3-morpholin-4-ylsulfonylpropanoic acid
CID 42035723
2-Methyl-2-(morpholine-4-sulfonyl)-propionic acid
CID 59634256
3-Morpholin-4-ylsulfonylpropyl 2-methylbutanoate
CID 89759335
2-Morpholin-4-ylsulfonylethyl 2,2-dimethylbutanoate
CID 118346133
2-[4-(3-Methoxysulfonylpropyl)morpholin-4-ium-4-yl]ethyl butanoate
CID 167097476
2-Methyl-3-morpholin-4-ylsulfonylpropanoic acid
CID 21985252
2,2-Dimethyl-3-morpholin-4-ylsulfonylpropanoic acid
CID 24253514
4-(Morpholine-4-sulfonyl)butanoic acid
CID 28513476
5-Morpholin-4-ylsulfonylpentanoic acid
CID 28704899
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpropanoic acid
CID 28773475

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)sulfonylbutanoic acid?
The IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)sulfonylbutanoic acid (CID 43592598) is 4-(2,2-dimethylmorpholin-4-yl)sulfonylbutanoic acid.
What is the SMILES notation for 4-(2,2-dimethylmorpholin-4-yl)sulfonylbutanoic acid?
The canonical SMILES for 4-(2,2-dimethylmorpholin-4-yl)sulfonylbutanoic acid is CC1(C)CN(S(=O)(=O)CCCC(=O)O)CCO1.
What is the InChIKey of 4-(2,2-dimethylmorpholin-4-yl)sulfonylbutanoic acid?
The InChIKey is RCQHEOYXVHYEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-10(2)8-11(5-6-16-10)17(14,15)7-3-4-9(12)13/h3-8H2,1-2H3,(H,12,13).
What are the key properties of 4-(2,2-dimethylmorpholin-4-yl)sulfonylbutanoic acid?
4-(2,2-dimethylmorpholin-4-yl)sulfonylbutanoic acid has a molecular weight of 265.33 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylmorpholin-4-yl)sulfonylbutanoic acid is sourced from PubChem (CID 43592598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).