methyl 2-[4-(thiomorpholine-3-carbonylamino)phenoxy]acetate

C14H18N2O4S — CID 82906882

IUPACmethyl 2-[4-(thiomorpholine-3-carbonylamino)phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)C2CSCCN2)cc1
InChIInChI=1S/C14H18N2O4S/c1-19-13(17)8-20-11-4-2-10(3-5-11)16-14(18)12-9-21-7-6-15-12/h2-5,12,15H,6-9H2,1H3,(H,16,18)
InChIKeyXEDJOCJJSSHBPP-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.88
Rot. Bonds5

About methyl 2-[4-(thiomorpholine-3-carbonylamino)phenoxy]acetate

methyl 2-[4-(thiomorpholine-3-carbonylamino)phenoxy]acetate (PubChem CID 82906882) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is methyl 2-[4-(thiomorpholine-3-carbonylamino)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(thiomorpholine-3-carbonylamino)phenoxy]acetate
PubChem CID82906882
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Namemethyl 2-[4-(thiomorpholine-3-carbonylamino)phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)C2CSCCN2)cc1
InChIInChI=1S/C14H18N2O4S/c1-19-13(17)8-20-11-4-2-10(3-5-11)16-14(18)12-9-21-7-6-15-12/h2-5,12,15H,6-9H2,1H3,(H,16,18)
InChIKeyXEDJOCJJSSHBPP-UHFFFAOYSA-N
XLogP0.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate
CID 119936369
N-[4-(2-methoxyethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43713460
N-[4-(carbamoylamino)phenyl]thiomorpholine-3-carboxamide
CID 82909460
N-(3,5-dimethoxyphenyl)thiomorpholine-3-carboxamide
CID 82906449
N-(6-methyl-3-pyridinyl)thiomorpholine-3-carboxamide
CID 82917928
N-[3-(2-methoxyethoxy)phenyl]thiomorpholine-3-carboxamide
CID 82908280
N-(4-phenylphenyl)thiomorpholine-3-carboxamide
CID 82896691
N-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003209
methyl 2-[4-[[(3S)-piperidine-3-carbonyl]amino]phenoxy]acetate
CID 81118246
N-(4-sulfamoylphenyl)thiomorpholine-3-carboxamide
CID 82905967
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,3-thiazolidine-4-carboxamide
CID 43708166
N-(3,4,5-trimethoxyphenyl)thiomorpholine-3-carboxamide
CID 82906249

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(thiomorpholine-3-carbonylamino)phenoxy]acetate?
The IUPAC name of methyl 2-[4-(thiomorpholine-3-carbonylamino)phenoxy]acetate (CID 82906882) is methyl 2-[4-(thiomorpholine-3-carbonylamino)phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-(thiomorpholine-3-carbonylamino)phenoxy]acetate?
The canonical SMILES for methyl 2-[4-(thiomorpholine-3-carbonylamino)phenoxy]acetate is COC(=O)COc1ccc(NC(=O)C2CSCCN2)cc1.
What is the InChIKey of methyl 2-[4-(thiomorpholine-3-carbonylamino)phenoxy]acetate?
The InChIKey is XEDJOCJJSSHBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-19-13(17)8-20-11-4-2-10(3-5-11)16-14(18)12-9-21-7-6-15-12/h2-5,12,15H,6-9H2,1H3,(H,16,18).
What are the key properties of methyl 2-[4-(thiomorpholine-3-carbonylamino)phenoxy]acetate?
methyl 2-[4-(thiomorpholine-3-carbonylamino)phenoxy]acetate has a molecular weight of 310.38 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(thiomorpholine-3-carbonylamino)phenoxy]acetate is sourced from PubChem (CID 82906882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).