methyl (2R)-4-(4-methylphenyl)sulfonylmorpholine-2-carboxylate

C13H17NO5S — CID 171059500

IUPACmethyl (2R)-4-(4-methylphenyl)sulfonylmorpholine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)CCO1
InChIInChI=1S/C13H17NO5S/c1-10-3-5-11(6-4-10)20(16,17)14-7-8-19-12(9-14)13(15)18-2/h3-6,12H,7-9H2,1-2H3/t12-/m1/s1
InChIKeySLFMYIUZLOQPDZ-GFCCVEGCSA-N
MW299.35 g/mol
LogP0.56
Rot. Bonds3

About methyl (2R)-4-(4-methylphenyl)sulfonylmorpholine-2-carboxylate

methyl (2R)-4-(4-methylphenyl)sulfonylmorpholine-2-carboxylate (PubChem CID 171059500) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is methyl (2R)-4-(4-methylphenyl)sulfonylmorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-4-(4-methylphenyl)sulfonylmorpholine-2-carboxylate
PubChem CID171059500
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Namemethyl (2R)-4-(4-methylphenyl)sulfonylmorpholine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)CCO1
InChIInChI=1S/C13H17NO5S/c1-10-3-5-11(6-4-10)20(16,17)14-7-8-19-12(9-14)13(15)18-2/h3-6,12H,7-9H2,1-2H3/t12-/m1/s1
InChIKeySLFMYIUZLOQPDZ-GFCCVEGCSA-N
XLogP0.56
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3,5-dimethylphenyl)sulfonylmorpholine-2-carboxylate
CID 115536259
methyl 4-(3-amino-4-methylphenyl)sulfonylmorpholine-2-carboxylate
CID 115533508
methyl 4-(3-chloro-4-fluorophenyl)sulfonylmorpholine-2-carboxylate
CID 78926104
methyl 4-(3-bromophenyl)sulfonylmorpholine-2-carboxylate
CID 78927097
methyl 4-(2-amino-6-methylphenyl)sulfonylmorpholine-2-carboxylate
CID 115533480
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
N-[4-[2-(4-methylphenyl)morpholin-4-yl]sulfonylphenyl]acetamide
CID 110326603
4-[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]morpholine-2-carboxylic acid
CID 119358030
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
methyl 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylate
CID 115536263
methyl 4-(2-methoxy-2-oxoethyl)sulfonylmorpholine-2-carboxylate
CID 78996026
methyl 4-(4-ethylsulfonylphenyl)morpholine-2-carboxylate
CID 115538578

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-(4-methylphenyl)sulfonylmorpholine-2-carboxylate?
The IUPAC name of methyl (2R)-4-(4-methylphenyl)sulfonylmorpholine-2-carboxylate (CID 171059500) is methyl (2R)-4-(4-methylphenyl)sulfonylmorpholine-2-carboxylate.
What is the SMILES notation for methyl (2R)-4-(4-methylphenyl)sulfonylmorpholine-2-carboxylate?
The canonical SMILES for methyl (2R)-4-(4-methylphenyl)sulfonylmorpholine-2-carboxylate is COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)CCO1.
What is the InChIKey of methyl (2R)-4-(4-methylphenyl)sulfonylmorpholine-2-carboxylate?
The InChIKey is SLFMYIUZLOQPDZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-10-3-5-11(6-4-10)20(16,17)14-7-8-19-12(9-14)13(15)18-2/h3-6,12H,7-9H2,1-2H3/t12-/m1/s1.
What are the key properties of methyl (2R)-4-(4-methylphenyl)sulfonylmorpholine-2-carboxylate?
methyl (2R)-4-(4-methylphenyl)sulfonylmorpholine-2-carboxylate has a molecular weight of 299.35 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-(4-methylphenyl)sulfonylmorpholine-2-carboxylate is sourced from PubChem (CID 171059500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).