2-[4-(2,5-dimethylmorpholin-4-yl)sulfonylphenyl]acetic acid

C14H19NO5S — CID 43544549

IUPAC2-[4-(2,5-dimethylmorpholin-4-yl)sulfonylphenyl]acetic acid
SMILESCC1CN(S(=O)(=O)c2ccc(CC(=O)O)cc2)C(C)CO1
InChIInChI=1S/C14H19NO5S/c1-10-9-20-11(2)8-15(10)21(18,19)13-5-3-12(4-6-13)7-14(16)17/h3-6,10-11H,7-9H2,1-2H3,(H,16,17)
InChIKeyTZGQCJZDBLKZBS-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.11
Rot. Bonds4

About 2-[4-(2,5-dimethylmorpholin-4-yl)sulfonylphenyl]acetic acid

2-[4-(2,5-dimethylmorpholin-4-yl)sulfonylphenyl]acetic acid (PubChem CID 43544549) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylmorpholin-4-yl)sulfonylphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,5-dimethylmorpholin-4-yl)sulfonylphenyl]acetic acid
PubChem CID43544549
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name2-[4-(2,5-dimethylmorpholin-4-yl)sulfonylphenyl]acetic acid
SMILESCC1CN(S(=O)(=O)c2ccc(CC(=O)O)cc2)C(C)CO1
InChIInChI=1S/C14H19NO5S/c1-10-9-20-11(2)8-15(10)21(18,19)13-5-3-12(4-6-13)7-14(16)17/h3-6,10-11H,7-9H2,1-2H3,(H,16,17)
InChIKeyTZGQCJZDBLKZBS-UHFFFAOYSA-N
XLogP1.11
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 43421867
2-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43542002
[4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219341
3-[4-(2,5-dimethylmorpholin-4-yl)sulfonylpyrazol-1-yl]propanoic acid
CID 43544547
(2S,5R)-4-[(6-chloro-3-pyridinyl)sulfonyl]-2,5-dimethylmorpholine
CID 51682945
2,5-dimethyl-4-[4-(tetrazol-1-yl)phenyl]sulfonylmorpholine
CID 49239732
4-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethylmorpholine
CID 110727700
2-(2,5-dimethylmorpholin-4-yl)sulfonylacetic acid
CID 43544554
2-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43612964
(2S,5S)-4-(1-benzylpyrazol-4-yl)sulfonyl-2,5-dimethylmorpholine
CID 98750623
[5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81219261
3-(2,5-dimethylmorpholin-4-yl)sulfonylbenzenesulfonyl fluoride
CID 114791367

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylmorpholin-4-yl)sulfonylphenyl]acetic acid?
The IUPAC name of 2-[4-(2,5-dimethylmorpholin-4-yl)sulfonylphenyl]acetic acid (CID 43544549) is 2-[4-(2,5-dimethylmorpholin-4-yl)sulfonylphenyl]acetic acid.
What is the SMILES notation for 2-[4-(2,5-dimethylmorpholin-4-yl)sulfonylphenyl]acetic acid?
The canonical SMILES for 2-[4-(2,5-dimethylmorpholin-4-yl)sulfonylphenyl]acetic acid is CC1CN(S(=O)(=O)c2ccc(CC(=O)O)cc2)C(C)CO1.
What is the InChIKey of 2-[4-(2,5-dimethylmorpholin-4-yl)sulfonylphenyl]acetic acid?
The InChIKey is TZGQCJZDBLKZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-10-9-20-11(2)8-15(10)21(18,19)13-5-3-12(4-6-13)7-14(16)17/h3-6,10-11H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-(2,5-dimethylmorpholin-4-yl)sulfonylphenyl]acetic acid?
2-[4-(2,5-dimethylmorpholin-4-yl)sulfonylphenyl]acetic acid has a molecular weight of 313.38 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylmorpholin-4-yl)sulfonylphenyl]acetic acid is sourced from PubChem (CID 43544549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).