ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate

C9H20N2O5S — CID 114816338

IUPACethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate
SMILESCCOC(=O)CCN(C)S(=O)(=O)NCCOC
InChIInChI=1S/C9H20N2O5S/c1-4-16-9(12)5-7-11(2)17(13,14)10-6-8-15-3/h10H,4-8H2,1-3H3
InChIKeyIZLHTYRPKKCPLN-UHFFFAOYSA-N
MW268.33 g/mol
LogP-0.65
Rot. Bonds9

About ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate

ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate (PubChem CID 114816338) has the molecular formula C9H20N2O5S and a molecular weight of 268.33 g/mol. Its IUPAC name is ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate
PubChem CID114816338
Molecular FormulaC9H20N2O5S
Molecular Weight268.33 g/mol
Exact Mass268.11
IUPAC Nameethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate
SMILESCCOC(=O)CCN(C)S(=O)(=O)NCCOC
InChIInChI=1S/C9H20N2O5S/c1-4-16-9(12)5-7-11(2)17(13,14)10-6-8-15-3/h10H,4-8H2,1-3H3
InChIKeyIZLHTYRPKKCPLN-UHFFFAOYSA-N
XLogP-0.65
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-methoxyethylsulfamoyl(propyl)amino]acetate
CID 114816314
ethyl 3-[3-methoxypropylsulfonyl(methyl)amino]propanoate
CID 55173272
methyl 3-[4-(2-methoxyethoxy)butylsulfamoyl-methylamino]propanoate
CID 115677926
methyl 3-[2-(carbamoylamino)ethylsulfamoyl-methylamino]propanoate
CID 83116212
ethyl 2-(2-methoxyethylsulfamoyl)acetate
CID 62544965
methyl 3-[4-hydroxybutylsulfamoyl(methyl)amino]propanoate
CID 106840462
methyl 3-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoate
CID 114816329
3-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl-methylamino]propanoic acid
CID 113405032
methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate
CID 113351676
2-amino-1-[2-methoxyethylsulfamoyl(methyl)amino]propane
CID 114816735
ethyl 3-[2-methoxyethyl(pentan-3-yl)amino]propanoate
CID 55004372
methyl 3-[2-[cyclopropyl(ethyl)amino]ethylsulfamoyl-methylamino]propanoate
CID 103731361

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate?
The IUPAC name of ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate (CID 114816338) is ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate?
The canonical SMILES for ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate is CCOC(=O)CCN(C)S(=O)(=O)NCCOC.
What is the InChIKey of ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate?
The InChIKey is IZLHTYRPKKCPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O5S/c1-4-16-9(12)5-7-11(2)17(13,14)10-6-8-15-3/h10H,4-8H2,1-3H3.
What are the key properties of ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate?
ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate has a molecular weight of 268.33 g/mol, XLogP of -0.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate is sourced from PubChem (CID 114816338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).