2-[3-(3-methylsulfonylthiomorpholine-4-carbonyl)phenoxy]acetic acid

C14H17NO6S2 — CID 119186354

IUPAC2-[3-(3-methylsulfonylthiomorpholine-4-carbonyl)phenoxy]acetic acid
SMILESCS(=O)(=O)C1CSCCN1C(=O)c1cccc(OCC(=O)O)c1
InChIInChI=1S/C14H17NO6S2/c1-23(19,20)12-9-22-6-5-15(12)14(18)10-3-2-4-11(7-10)21-8-13(16)17/h2-4,7,12H,5-6,8-9H2,1H3,(H,16,17)
InChIKeyBEJZXKCXZSGLRG-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.71
Rot. Bonds5

About 2-[3-(3-methylsulfonylthiomorpholine-4-carbonyl)phenoxy]acetic acid

2-[3-(3-methylsulfonylthiomorpholine-4-carbonyl)phenoxy]acetic acid (PubChem CID 119186354) has the molecular formula C14H17NO6S2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[3-(3-methylsulfonylthiomorpholine-4-carbonyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(3-methylsulfonylthiomorpholine-4-carbonyl)phenoxy]acetic acid
PubChem CID119186354
Molecular FormulaC14H17NO6S2
Molecular Weight359.43 g/mol
Exact Mass359.05
IUPAC Name2-[3-(3-methylsulfonylthiomorpholine-4-carbonyl)phenoxy]acetic acid
SMILESCS(=O)(=O)C1CSCCN1C(=O)c1cccc(OCC(=O)O)c1
InChIInChI=1S/C14H17NO6S2/c1-23(19,20)12-9-22-6-5-15(12)14(18)10-3-2-4-11(7-10)21-8-13(16)17/h2-4,7,12H,5-6,8-9H2,1H3,(H,16,17)
InChIKeyBEJZXKCXZSGLRG-UHFFFAOYSA-N
XLogP0.71
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(3-methylsulfonylthiomorpholine-4-carbonyl)phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-ethylsulfonylthiomorpholin-4-yl)-(3-hydroxyphenyl)methanone
CID 66376989
(4-aminophenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66383330
2-[4-[3-(3-methylbut-2-enoxy)benzoyl]thiomorpholin-3-yl]acetic acid
CID 119210824
2-[3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)phenoxy]acetic acid
CID 119186874
4-(3-methylsulfonylthiomorpholin-4-yl)-4-oxobutanoic acid
CID 66384140
[3-(chloromethyl)phenyl]-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66376942
(4-hydrazinylphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66383483
2-[3-(3-methyl-2-phenylazetidine-1-carbonyl)phenoxy]acetic acid
CID 119187127
5-(3-methylsulfonylthiomorpholine-4-carbonyl)furan-3-carboxylic acid
CID 104607707
(2,3-difluorophenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66382642
(2S)-2-(3-fluorophenoxy)-1-[(3S)-3-methylsulfonylthiomorpholin-4-yl]propan-1-one
CID 125131194
2-(2-aminophenoxy)-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
CID 66381773

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylsulfonylthiomorpholine-4-carbonyl)phenoxy]acetic acid?
The IUPAC name of 2-[3-(3-methylsulfonylthiomorpholine-4-carbonyl)phenoxy]acetic acid (CID 119186354) is 2-[3-(3-methylsulfonylthiomorpholine-4-carbonyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(3-methylsulfonylthiomorpholine-4-carbonyl)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(3-methylsulfonylthiomorpholine-4-carbonyl)phenoxy]acetic acid is CS(=O)(=O)C1CSCCN1C(=O)c1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-(3-methylsulfonylthiomorpholine-4-carbonyl)phenoxy]acetic acid?
The InChIKey is BEJZXKCXZSGLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO6S2/c1-23(19,20)12-9-22-6-5-15(12)14(18)10-3-2-4-11(7-10)21-8-13(16)17/h2-4,7,12H,5-6,8-9H2,1H3,(H,16,17).
What are the key properties of 2-[3-(3-methylsulfonylthiomorpholine-4-carbonyl)phenoxy]acetic acid?
2-[3-(3-methylsulfonylthiomorpholine-4-carbonyl)phenoxy]acetic acid has a molecular weight of 359.43 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylsulfonylthiomorpholine-4-carbonyl)phenoxy]acetic acid is sourced from PubChem (CID 119186354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).