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

C13H17NO5S — CID 79771144

IUPACmethyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(S(=O)(=O)c2ccccc2)CCO1
InChIInChI=1S/C13H17NO5S/c1-18-13(15)9-11-10-14(7-8-19-11)20(16,17)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyBADSUYPQJUSYET-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.64
Rot. Bonds4

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

methyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate (PubChem CID 79771144) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is methyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate
PubChem CID79771144
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Namemethyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(S(=O)(=O)c2ccccc2)CCO1
InChIInChI=1S/C13H17NO5S/c1-18-13(15)9-11-10-14(7-8-19-11)20(16,17)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyBADSUYPQJUSYET-UHFFFAOYSA-N
XLogP0.64
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-(benzenesulfonyl)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

Related Compounds

methyl 2-[4-(3-methylphenyl)sulfonylmorpholin-2-yl]acetate
CID 79764305
(2R)-4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine
CID 25279605
methyl 2-[4-(2,5-dimethylthiophen-3-yl)sulfonylmorpholin-2-yl]acetate
CID 79765579
methyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate
CID 79769803
2-[4-(3-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid
CID 66433238
2-benzyl-4-(4-methoxyphenyl)sulfonylmorpholine
CID 110643940
methyl 2-[4-(5-bromo-4-methylthiophen-2-yl)sulfonylmorpholin-2-yl]acetate
CID 79931537
methyl 2-[4-(ethylsulfamoyl)morpholin-2-yl]acetate
CID 115678021
methyl 2-[4-(dipropylsulfamoyl)morpholin-2-yl]acetate
CID 79765314
methyl 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79812518
methyl 2-[4-(4-methylsulfonylphenyl)morpholin-2-yl]acetate
CID 115538670
methyl 2-[4-(2-hydroxy-2-phenylpropyl)morpholin-2-yl]acetate
CID 79827517

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate (CID 79771144) is methyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate is COC(=O)CC1CN(S(=O)(=O)c2ccccc2)CCO1.
What is the InChIKey of methyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate?
The InChIKey is BADSUYPQJUSYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-18-13(15)9-11-10-14(7-8-19-11)20(16,17)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3.
What are the key properties of methyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate?
methyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate has a molecular weight of 299.35 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate is sourced from PubChem (CID 79771144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).