methyl 2-[4-(ethylsulfamoyl)morpholin-2-yl]acetate

C9H18N2O5S — CID 115678021

IUPACmethyl 2-[4-(ethylsulfamoyl)morpholin-2-yl]acetate
SMILESCCNS(=O)(=O)N1CCOC(CC(=O)OC)C1
InChIInChI=1S/C9H18N2O5S/c1-3-10-17(13,14)11-4-5-16-8(7-11)6-9(12)15-2/h8,10H,3-7H2,1-2H3
InChIKeyJHUBXNOZRCMTOC-UHFFFAOYSA-N
MW266.32 g/mol
LogP-0.90
Rot. Bonds5

About methyl 2-[4-(ethylsulfamoyl)morpholin-2-yl]acetate

methyl 2-[4-(ethylsulfamoyl)morpholin-2-yl]acetate (PubChem CID 115678021) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is methyl 2-[4-(ethylsulfamoyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(ethylsulfamoyl)morpholin-2-yl]acetate
PubChem CID115678021
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Namemethyl 2-[4-(ethylsulfamoyl)morpholin-2-yl]acetate
SMILESCCNS(=O)(=O)N1CCOC(CC(=O)OC)C1
InChIInChI=1S/C9H18N2O5S/c1-3-10-17(13,14)11-4-5-16-8(7-11)6-9(12)15-2/h8,10H,3-7H2,1-2H3
InChIKeyJHUBXNOZRCMTOC-UHFFFAOYSA-N
XLogP-0.90
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(ethylsulfamoyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(ethylsulfamoyl)morpholin-2-yl]acetate (CID 115678021) is methyl 2-[4-(ethylsulfamoyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(ethylsulfamoyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(ethylsulfamoyl)morpholin-2-yl]acetate is CCNS(=O)(=O)N1CCOC(CC(=O)OC)C1.
What is the InChIKey of methyl 2-[4-(ethylsulfamoyl)morpholin-2-yl]acetate?
The InChIKey is JHUBXNOZRCMTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-3-10-17(13,14)11-4-5-16-8(7-11)6-9(12)15-2/h8,10H,3-7H2,1-2H3.
What are the key properties of methyl 2-[4-(ethylsulfamoyl)morpholin-2-yl]acetate?
methyl 2-[4-(ethylsulfamoyl)morpholin-2-yl]acetate has a molecular weight of 266.32 g/mol, XLogP of -0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(ethylsulfamoyl)morpholin-2-yl]acetate is sourced from PubChem (CID 115678021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).