methyl 2-[4-(4-methylsulfonylphenyl)morpholin-2-yl]acetate

C14H19NO5S — CID 115538670

IUPACmethyl 2-[4-(4-methylsulfonylphenyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2ccc(S(C)(=O)=O)cc2)CCO1
InChIInChI=1S/C14H19NO5S/c1-19-14(16)9-12-10-15(7-8-20-12)11-3-5-13(6-4-11)21(2,17)18/h3-6,12H,7-10H2,1-2H3
InChIKeyKOGUPZLLQROVCY-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.86
Rot. Bonds4

About methyl 2-[4-(4-methylsulfonylphenyl)morpholin-2-yl]acetate

methyl 2-[4-(4-methylsulfonylphenyl)morpholin-2-yl]acetate (PubChem CID 115538670) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is methyl 2-[4-(4-methylsulfonylphenyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-methylsulfonylphenyl)morpholin-2-yl]acetate
PubChem CID115538670
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Namemethyl 2-[4-(4-methylsulfonylphenyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2ccc(S(C)(=O)=O)cc2)CCO1
InChIInChI=1S/C14H19NO5S/c1-19-14(16)9-12-10-15(7-8-20-12)11-3-5-13(6-4-11)21(2,17)18/h3-6,12H,7-10H2,1-2H3
InChIKeyKOGUPZLLQROVCY-UHFFFAOYSA-N
XLogP0.86
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[4-(4-methylsulfonylphenyl)morpholin-2-yl]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-methylsulfonylphenyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(4-methylsulfonylphenyl)morpholin-2-yl]acetate (CID 115538670) is methyl 2-[4-(4-methylsulfonylphenyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(4-methylsulfonylphenyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(4-methylsulfonylphenyl)morpholin-2-yl]acetate is COC(=O)CC1CN(c2ccc(S(C)(=O)=O)cc2)CCO1.
What is the InChIKey of methyl 2-[4-(4-methylsulfonylphenyl)morpholin-2-yl]acetate?
The InChIKey is KOGUPZLLQROVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-19-14(16)9-12-10-15(7-8-20-12)11-3-5-13(6-4-11)21(2,17)18/h3-6,12H,7-10H2,1-2H3.
What are the key properties of methyl 2-[4-(4-methylsulfonylphenyl)morpholin-2-yl]acetate?
methyl 2-[4-(4-methylsulfonylphenyl)morpholin-2-yl]acetate has a molecular weight of 313.38 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-methylsulfonylphenyl)morpholin-2-yl]acetate is sourced from PubChem (CID 115538670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).