methyl (2R,3S)-5-oxo-4-propan-2-yl-3-(4-sulfamoylphenyl)morpholine-2-carboxylate

C15H20N2O6S — CID 155529984

IUPACmethyl (2R,3S)-5-oxo-4-propan-2-yl-3-(4-sulfamoylphenyl)morpholine-2-carboxylate
SMILESCOC(=O)[C@@H]1OCC(=O)N(C(C)C)[C@H]1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H20N2O6S/c1-9(2)17-12(18)8-23-14(15(19)22-3)13(17)10-4-6-11(7-5-10)24(16,20)21/h4-7,9,13-14H,8H2,1-3H3,(H2,16,20,21)/t13-,14+/m0/s1
InChIKeyOWKYPJZIRNCORN-UONOGXRCSA-N
MW356.40 g/mol
LogP0.18
Rot. Bonds4

About methyl (2R,3S)-5-oxo-4-propan-2-yl-3-(4-sulfamoylphenyl)morpholine-2-carboxylate

methyl (2R,3S)-5-oxo-4-propan-2-yl-3-(4-sulfamoylphenyl)morpholine-2-carboxylate (PubChem CID 155529984) has the molecular formula C15H20N2O6S and a molecular weight of 356.40 g/mol. Its IUPAC name is methyl (2R,3S)-5-oxo-4-propan-2-yl-3-(4-sulfamoylphenyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S)-5-oxo-4-propan-2-yl-3-(4-sulfamoylphenyl)morpholine-2-carboxylate
PubChem CID155529984
Molecular FormulaC15H20N2O6S
Molecular Weight356.40 g/mol
Exact Mass356.10
IUPAC Namemethyl (2R,3S)-5-oxo-4-propan-2-yl-3-(4-sulfamoylphenyl)morpholine-2-carboxylate
SMILESCOC(=O)[C@@H]1OCC(=O)N(C(C)C)[C@H]1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H20N2O6S/c1-9(2)17-12(18)8-23-14(15(19)22-3)13(17)10-4-6-11(7-5-10)24(16,20)21/h4-7,9,13-14H,8H2,1-3H3,(H2,16,20,21)/t13-,14+/m0/s1
InChIKeyOWKYPJZIRNCORN-UONOGXRCSA-N
XLogP0.18
TPSA116.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-5-oxo-4-propan-2-yl-3-(4-sulfamoylphenyl)morpholine-2-carboxylate?
The IUPAC name of methyl (2R,3S)-5-oxo-4-propan-2-yl-3-(4-sulfamoylphenyl)morpholine-2-carboxylate (CID 155529984) is methyl (2R,3S)-5-oxo-4-propan-2-yl-3-(4-sulfamoylphenyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl (2R,3S)-5-oxo-4-propan-2-yl-3-(4-sulfamoylphenyl)morpholine-2-carboxylate?
The canonical SMILES for methyl (2R,3S)-5-oxo-4-propan-2-yl-3-(4-sulfamoylphenyl)morpholine-2-carboxylate is COC(=O)[C@@H]1OCC(=O)N(C(C)C)[C@H]1c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of methyl (2R,3S)-5-oxo-4-propan-2-yl-3-(4-sulfamoylphenyl)morpholine-2-carboxylate?
The InChIKey is OWKYPJZIRNCORN-UONOGXRCSA-N. The full InChI is InChI=1S/C15H20N2O6S/c1-9(2)17-12(18)8-23-14(15(19)22-3)13(17)10-4-6-11(7-5-10)24(16,20)21/h4-7,9,13-14H,8H2,1-3H3,(H2,16,20,21)/t13-,14+/m0/s1.
What are the key properties of methyl (2R,3S)-5-oxo-4-propan-2-yl-3-(4-sulfamoylphenyl)morpholine-2-carboxylate?
methyl (2R,3S)-5-oxo-4-propan-2-yl-3-(4-sulfamoylphenyl)morpholine-2-carboxylate has a molecular weight of 356.40 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-5-oxo-4-propan-2-yl-3-(4-sulfamoylphenyl)morpholine-2-carboxylate is sourced from PubChem (CID 155529984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).