methyl 4-(4-ethylsulfonylphenyl)morpholine-2-carboxylate

C14H19NO5S — CID 115538578

IUPACmethyl 4-(4-ethylsulfonylphenyl)morpholine-2-carboxylate
SMILESCCS(=O)(=O)c1ccc(N2CCOC(C(=O)OC)C2)cc1
InChIInChI=1S/C14H19NO5S/c1-3-21(17,18)12-6-4-11(5-7-12)15-8-9-20-13(10-15)14(16)19-2/h4-7,13H,3,8-10H2,1-2H3
InChIKeyQFXWGABTFABYAJ-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.86
Rot. Bonds4

About methyl 4-(4-ethylsulfonylphenyl)morpholine-2-carboxylate

methyl 4-(4-ethylsulfonylphenyl)morpholine-2-carboxylate (PubChem CID 115538578) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is methyl 4-(4-ethylsulfonylphenyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-ethylsulfonylphenyl)morpholine-2-carboxylate
PubChem CID115538578
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Namemethyl 4-(4-ethylsulfonylphenyl)morpholine-2-carboxylate
SMILESCCS(=O)(=O)c1ccc(N2CCOC(C(=O)OC)C2)cc1
InChIInChI=1S/C14H19NO5S/c1-3-21(17,18)12-6-4-11(5-7-12)15-8-9-20-13(10-15)14(16)19-2/h4-7,13H,3,8-10H2,1-2H3
InChIKeyQFXWGABTFABYAJ-UHFFFAOYSA-N
XLogP0.86
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-benzyl-4-(4-ethylsulfonylphenyl)morpholine
CID 125138388
methyl 2-[4-(4-methylsulfonylphenyl)morpholin-2-yl]acetate
CID 115538670
1-[(2S)-4-(4-ethylsulfonylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine
CID 99790126
methyl 4-(3-methoxy-4-nitrophenyl)morpholine-2-carboxylate
CID 79033453
methyl (2R)-4-(4-methylphenyl)sulfonylmorpholine-2-carboxylate
CID 171059500
methyl 4-(3-nitrophenyl)morpholine-2-carboxylate
CID 78926285
methyl 4-(4-cyano-3-methylphenyl)morpholine-2-carboxylate
CID 115534628
bis[1-(4-ethylsulfonylphenyl)piperidin-4-yl]methanone
CID 174945351
methyl 4-[2-(methylcarbamoyl)-4-pyridinyl]morpholine-2-carboxylate
CID 115538541
(3S,4R)-1-(4-ethylsulfonylphenyl)-4-methylpiperidin-3-ol
CID 99790197
(3R)-1-(4-ethylsulfonylphenyl)piperidin-3-amine
CID 102986553
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-ethylsulfonylphenyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(4-ethylsulfonylphenyl)morpholine-2-carboxylate (CID 115538578) is methyl 4-(4-ethylsulfonylphenyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(4-ethylsulfonylphenyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(4-ethylsulfonylphenyl)morpholine-2-carboxylate is CCS(=O)(=O)c1ccc(N2CCOC(C(=O)OC)C2)cc1.
What is the InChIKey of methyl 4-(4-ethylsulfonylphenyl)morpholine-2-carboxylate?
The InChIKey is QFXWGABTFABYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-3-21(17,18)12-6-4-11(5-7-12)15-8-9-20-13(10-15)14(16)19-2/h4-7,13H,3,8-10H2,1-2H3.
What are the key properties of methyl 4-(4-ethylsulfonylphenyl)morpholine-2-carboxylate?
methyl 4-(4-ethylsulfonylphenyl)morpholine-2-carboxylate has a molecular weight of 313.38 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-ethylsulfonylphenyl)morpholine-2-carboxylate is sourced from PubChem (CID 115538578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).