2-(2,5-dimethylmorpholin-4-yl)sulfonylacetic acid

C8H15NO5S — CID 43544554

IUPAC2-(2,5-dimethylmorpholin-4-yl)sulfonylacetic acid
SMILESCC1CN(S(=O)(=O)CC(=O)O)C(C)CO1
InChIInChI=1S/C8H15NO5S/c1-6-4-14-7(2)3-9(6)15(12,13)5-8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyJWXSCCGJZDGJPZ-UHFFFAOYSA-N
MW237.28 g/mol
LogP-0.49
Rot. Bonds3

About 2-(2,5-dimethylmorpholin-4-yl)sulfonylacetic acid

2-(2,5-dimethylmorpholin-4-yl)sulfonylacetic acid (PubChem CID 43544554) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-(2,5-dimethylmorpholin-4-yl)sulfonylacetic acid.

Molecular Properties

Compound Name2-(2,5-dimethylmorpholin-4-yl)sulfonylacetic acid
PubChem CID43544554
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name2-(2,5-dimethylmorpholin-4-yl)sulfonylacetic acid
SMILESCC1CN(S(=O)(=O)CC(=O)O)C(C)CO1
InChIInChI=1S/C8H15NO5S/c1-6-4-14-7(2)3-9(6)15(12,13)5-8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyJWXSCCGJZDGJPZ-UHFFFAOYSA-N
XLogP-0.49
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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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Related Compounds

2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylacetic acid
CID 81202826
2-(5-ethyl-2-methylmorpholin-4-yl)sulfonylacetic acid
CID 43578522
4-(bromomethylsulfonyl)-2,5-dimethylmorpholine
CID 83084634
(2S,5S)-2,5-dimethyl-4-(2-methylpropylsulfonyl)morpholine
CID 100567938
(2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride
CID 94843085
2-[4-(2,5-dimethylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43544549
(2S,6S)-4-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-2,6-dimethylmorpholine
CID 98700562
2-(2,5-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103342422
4-(2,5-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 43421867
4-[(2,5-dimethylmorpholin-4-yl)sulfonylmethyl]aniline
CID 43544294
4-ethenylsulfonyl-2,5-dimethylmorpholine
CID 130543907
2,5-dimethyl-4-(piperidin-2-ylmethylsulfonyl)morpholine
CID 54973972

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)sulfonylacetic acid?
The IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)sulfonylacetic acid (CID 43544554) is 2-(2,5-dimethylmorpholin-4-yl)sulfonylacetic acid.
What is the SMILES notation for 2-(2,5-dimethylmorpholin-4-yl)sulfonylacetic acid?
The canonical SMILES for 2-(2,5-dimethylmorpholin-4-yl)sulfonylacetic acid is CC1CN(S(=O)(=O)CC(=O)O)C(C)CO1.
What is the InChIKey of 2-(2,5-dimethylmorpholin-4-yl)sulfonylacetic acid?
The InChIKey is JWXSCCGJZDGJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-6-4-14-7(2)3-9(6)15(12,13)5-8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-(2,5-dimethylmorpholin-4-yl)sulfonylacetic acid?
2-(2,5-dimethylmorpholin-4-yl)sulfonylacetic acid has a molecular weight of 237.28 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylmorpholin-4-yl)sulfonylacetic acid is sourced from PubChem (CID 43544554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).