ethyl (2R,3R,4R)-3-methyl-4-[(4-methylphenyl)sulfonylamino]-5-oxooxolane-2-carboxylate

C15H19NO6S — CID 11210015

IUPACethyl (2R,3R,4R)-3-methyl-4-[(4-methylphenyl)sulfonylamino]-5-oxooxolane-2-carboxylate
SMILESCCOC(=O)[C@@H]1OC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H]1C
InChIInChI=1S/C15H19NO6S/c1-4-21-15(18)13-10(3)12(14(17)22-13)16-23(19,20)11-7-5-9(2)6-8-11/h5-8,10,12-13,16H,4H2,1-3H3/t10-,12-,13-/m1/s1
InChIKeyXZTUWPZOSRZOAK-RAIGVLPGSA-N
MW341.39 g/mol
LogP0.77
Rot. Bonds5

About ethyl (2R,3R,4R)-3-methyl-4-[(4-methylphenyl)sulfonylamino]-5-oxooxolane-2-carboxylate

ethyl (2R,3R,4R)-3-methyl-4-[(4-methylphenyl)sulfonylamino]-5-oxooxolane-2-carboxylate (PubChem CID 11210015) has the molecular formula C15H19NO6S and a molecular weight of 341.39 g/mol. Its IUPAC name is ethyl (2R,3R,4R)-3-methyl-4-[(4-methylphenyl)sulfonylamino]-5-oxooxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3R,4R)-3-methyl-4-[(4-methylphenyl)sulfonylamino]-5-oxooxolane-2-carboxylate
PubChem CID11210015
Molecular FormulaC15H19NO6S
Molecular Weight341.39 g/mol
Exact Mass341.09
IUPAC Nameethyl (2R,3R,4R)-3-methyl-4-[(4-methylphenyl)sulfonylamino]-5-oxooxolane-2-carboxylate
SMILESCCOC(=O)[C@@H]1OC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H]1C
InChIInChI=1S/C15H19NO6S/c1-4-21-15(18)13-10(3)12(14(17)22-13)16-23(19,20)11-7-5-9(2)6-8-11/h5-8,10,12-13,16H,4H2,1-3H3/t10-,12-,13-/m1/s1
InChIKeyXZTUWPZOSRZOAK-RAIGVLPGSA-N
XLogP0.77
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl (2R,3R,4R)-3-methyl-4-[(4-methylphenyl)sulfonylamino]-5-oxooxolane-2-carboxylate with MolForge

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Related Compounds

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CID 95561819

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R,4R)-3-methyl-4-[(4-methylphenyl)sulfonylamino]-5-oxooxolane-2-carboxylate?
The IUPAC name of ethyl (2R,3R,4R)-3-methyl-4-[(4-methylphenyl)sulfonylamino]-5-oxooxolane-2-carboxylate (CID 11210015) is ethyl (2R,3R,4R)-3-methyl-4-[(4-methylphenyl)sulfonylamino]-5-oxooxolane-2-carboxylate.
What is the SMILES notation for ethyl (2R,3R,4R)-3-methyl-4-[(4-methylphenyl)sulfonylamino]-5-oxooxolane-2-carboxylate?
The canonical SMILES for ethyl (2R,3R,4R)-3-methyl-4-[(4-methylphenyl)sulfonylamino]-5-oxooxolane-2-carboxylate is CCOC(=O)[C@@H]1OC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H]1C.
What is the InChIKey of ethyl (2R,3R,4R)-3-methyl-4-[(4-methylphenyl)sulfonylamino]-5-oxooxolane-2-carboxylate?
The InChIKey is XZTUWPZOSRZOAK-RAIGVLPGSA-N. The full InChI is InChI=1S/C15H19NO6S/c1-4-21-15(18)13-10(3)12(14(17)22-13)16-23(19,20)11-7-5-9(2)6-8-11/h5-8,10,12-13,16H,4H2,1-3H3/t10-,12-,13-/m1/s1.
What are the key properties of ethyl (2R,3R,4R)-3-methyl-4-[(4-methylphenyl)sulfonylamino]-5-oxooxolane-2-carboxylate?
ethyl (2R,3R,4R)-3-methyl-4-[(4-methylphenyl)sulfonylamino]-5-oxooxolane-2-carboxylate has a molecular weight of 341.39 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R,4R)-3-methyl-4-[(4-methylphenyl)sulfonylamino]-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 11210015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).