2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfinylphenyl]acetic acid

C14H17NO5S — CID 64928981

IUPAC2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfinylphenyl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H17NO5S/c16-13(15-5-7-20-8-6-15)10-21(19)12-3-1-11(2-4-12)9-14(17)18/h1-4H,5-10H2,(H,17,18)
InChIKeyZZTQLDYSZSZFRR-UHFFFAOYSA-N
MW311.36 g/mol
LogP0.28
Rot. Bonds5

About 2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfinylphenyl]acetic acid

2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfinylphenyl]acetic acid (PubChem CID 64928981) has the molecular formula C14H17NO5S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfinylphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfinylphenyl]acetic acid
PubChem CID64928981
Molecular FormulaC14H17NO5S
Molecular Weight311.36 g/mol
Exact Mass311.08
IUPAC Name2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfinylphenyl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H17NO5S/c16-13(15-5-7-20-8-6-15)10-21(19)12-3-1-11(2-4-12)9-14(17)18/h1-4H,5-10H2,(H,17,18)
InChIKeyZZTQLDYSZSZFRR-UHFFFAOYSA-N
XLogP0.28
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5170165
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CID 97223531
2-[4-(oxolan-3-ylmethylsulfinyl)phenyl]acetic acid
CID 64927594
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
2-(2-morpholin-4-yl-2-oxoethyl)sulfinyl-4-phenylbutanoic acid
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CID 110768044
2-[4-[(4-methylmorpholin-2-yl)methylsulfinyl]phenyl]acetic acid
CID 79182124
2-(2-amino-5-chlorophenyl)sulfinyl-1-morpholin-4-ylethanone
CID 81181296
2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 110365721
5-(2-oxo-2-piperidin-1-ylethyl)sulfinylfuran-2-carboxylic acid
CID 63944401
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CID 532825
2-(4-bromophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfinylphenyl]acetic acid?
The IUPAC name of 2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfinylphenyl]acetic acid (CID 64928981) is 2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfinylphenyl]acetic acid.
What is the SMILES notation for 2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfinylphenyl]acetic acid?
The canonical SMILES for 2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfinylphenyl]acetic acid is O=C(O)Cc1ccc(S(=O)CC(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfinylphenyl]acetic acid?
The InChIKey is ZZTQLDYSZSZFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5S/c16-13(15-5-7-20-8-6-15)10-21(19)12-3-1-11(2-4-12)9-14(17)18/h1-4H,5-10H2,(H,17,18).
What are the key properties of 2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfinylphenyl]acetic acid?
2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfinylphenyl]acetic acid has a molecular weight of 311.36 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfinylphenyl]acetic acid is sourced from PubChem (CID 64928981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).