methyl 2-morpholin-4-ylsulfonylacetate

C7H13NO5S — CID 63900315

IUPACmethyl 2-morpholin-4-ylsulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CCOCC1
InChIInChI=1S/C7H13NO5S/c1-12-7(9)6-14(10,11)8-2-4-13-5-3-8/h2-6H2,1H3
InChIKeyMWFORIJRKWXARO-UHFFFAOYSA-N
MW223.25 g/mol
LogP-1.18
Rot. Bonds3

About methyl 2-morpholin-4-ylsulfonylacetate

methyl 2-morpholin-4-ylsulfonylacetate (PubChem CID 63900315) has the molecular formula C7H13NO5S and a molecular weight of 223.25 g/mol. Its IUPAC name is methyl 2-morpholin-4-ylsulfonylacetate.

Molecular Properties

Compound Namemethyl 2-morpholin-4-ylsulfonylacetate
PubChem CID63900315
Molecular FormulaC7H13NO5S
Molecular Weight223.25 g/mol
Exact Mass223.05
IUPAC Namemethyl 2-morpholin-4-ylsulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CCOCC1
InChIInChI=1S/C7H13NO5S/c1-12-7(9)6-14(10,11)8-2-4-13-5-3-8/h2-6H2,1H3
InChIKeyMWFORIJRKWXARO-UHFFFAOYSA-N
XLogP-1.18
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 5-1.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-morpholin-4-ylsulfonylacetate?
The IUPAC name of methyl 2-morpholin-4-ylsulfonylacetate (CID 63900315) is methyl 2-morpholin-4-ylsulfonylacetate.
What is the SMILES notation for methyl 2-morpholin-4-ylsulfonylacetate?
The canonical SMILES for methyl 2-morpholin-4-ylsulfonylacetate is COC(=O)CS(=O)(=O)N1CCOCC1.
What is the InChIKey of methyl 2-morpholin-4-ylsulfonylacetate?
The InChIKey is MWFORIJRKWXARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO5S/c1-12-7(9)6-14(10,11)8-2-4-13-5-3-8/h2-6H2,1H3.
What are the key properties of methyl 2-morpholin-4-ylsulfonylacetate?
methyl 2-morpholin-4-ylsulfonylacetate has a molecular weight of 223.25 g/mol, XLogP of -1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-morpholin-4-ylsulfonylacetate is sourced from PubChem (CID 63900315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).