methyl (2S)-2-(4-morpholin-4-ylsulfonylphenoxy)propanoate

C14H19NO6S — CID 9331081

IUPACmethyl (2S)-2-(4-morpholin-4-ylsulfonylphenoxy)propanoate
SMILESCOC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H19NO6S/c1-11(14(16)19-2)21-12-3-5-13(6-4-12)22(17,18)15-7-9-20-10-8-15/h3-6,11H,7-10H2,1-2H3/t11-/m0/s1
InChIKeyILJTWJDSEXPXOI-NSHDSACASA-N
MW329.37 g/mol
LogP0.65
Rot. Bonds5

About methyl (2S)-2-(4-morpholin-4-ylsulfonylphenoxy)propanoate

methyl (2S)-2-(4-morpholin-4-ylsulfonylphenoxy)propanoate (PubChem CID 9331081) has the molecular formula C14H19NO6S and a molecular weight of 329.37 g/mol. Its IUPAC name is methyl (2S)-2-(4-morpholin-4-ylsulfonylphenoxy)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(4-morpholin-4-ylsulfonylphenoxy)propanoate
PubChem CID9331081
Molecular FormulaC14H19NO6S
Molecular Weight329.37 g/mol
Exact Mass329.09
IUPAC Namemethyl (2S)-2-(4-morpholin-4-ylsulfonylphenoxy)propanoate
SMILESCOC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H19NO6S/c1-11(14(16)19-2)21-12-3-5-13(6-4-12)22(17,18)15-7-9-20-10-8-15/h3-6,11H,7-10H2,1-2H3/t11-/m0/s1
InChIKeyILJTWJDSEXPXOI-NSHDSACASA-N
XLogP0.65
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-carbamoyl-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 9332160
(2S)-N-cyclopropyl-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 41094222
(2R)-N-cyclopentyl-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 9332126
2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2983188
2-(4-fluorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 3153549
methyl 2-[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]oxypropanoate
CID 16568787
(2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 9332032
(2S)-N-(3-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 7612920
N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide
CID 133234857
(2R)-2-(4-morpholin-4-ylsulfonylphenoxy)propanenitrile
CID 9332211
(2R)-N-(2-cyanophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 7612928
(2R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 11939287

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(4-morpholin-4-ylsulfonylphenoxy)propanoate?
The IUPAC name of methyl (2S)-2-(4-morpholin-4-ylsulfonylphenoxy)propanoate (CID 9331081) is methyl (2S)-2-(4-morpholin-4-ylsulfonylphenoxy)propanoate.
What is the SMILES notation for methyl (2S)-2-(4-morpholin-4-ylsulfonylphenoxy)propanoate?
The canonical SMILES for methyl (2S)-2-(4-morpholin-4-ylsulfonylphenoxy)propanoate is COC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of methyl (2S)-2-(4-morpholin-4-ylsulfonylphenoxy)propanoate?
The InChIKey is ILJTWJDSEXPXOI-NSHDSACASA-N. The full InChI is InChI=1S/C14H19NO6S/c1-11(14(16)19-2)21-12-3-5-13(6-4-12)22(17,18)15-7-9-20-10-8-15/h3-6,11H,7-10H2,1-2H3/t11-/m0/s1.
What are the key properties of methyl (2S)-2-(4-morpholin-4-ylsulfonylphenoxy)propanoate?
methyl (2S)-2-(4-morpholin-4-ylsulfonylphenoxy)propanoate has a molecular weight of 329.37 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(4-morpholin-4-ylsulfonylphenoxy)propanoate is sourced from PubChem (CID 9331081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).