ethyl 3-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate

C10H19NO6S — CID 54998323

IUPACethyl 3-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)N(CC)CC(=O)OC
InChIInChI=1S/C10H19NO6S/c1-4-11(8-10(13)16-3)18(14,15)7-6-9(12)17-5-2/h4-8H2,1-3H3
InChIKeyHTYURBKJJZXVED-UHFFFAOYSA-N
MW281.33 g/mol
LogP-0.24
Rot. Bonds8

About ethyl 3-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate

ethyl 3-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate (PubChem CID 54998323) has the molecular formula C10H19NO6S and a molecular weight of 281.33 g/mol. Its IUPAC name is ethyl 3-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate
PubChem CID54998323
Molecular FormulaC10H19NO6S
Molecular Weight281.33 g/mol
Exact Mass281.09
IUPAC Nameethyl 3-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)N(CC)CC(=O)OC
InChIInChI=1S/C10H19NO6S/c1-4-11(8-10(13)16-3)18(14,15)7-6-9(12)17-5-2/h4-8H2,1-3H3
InChIKeyHTYURBKJJZXVED-UHFFFAOYSA-N
XLogP-0.24
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(3-amino-3-sulfanylidenepropyl)-ethylsulfamoyl]propanoate
CID 54992634
ethyl 4-[ethyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoate
CID 54979582
methyl 2-[ethyl(methylsulfamoyl)amino]acetate
CID 114811545
4-O-ethyl 1-O-methyl butanedioate
CID 522068
ethyl 2-[ethyl(ethylsulfamoyl)amino]acetate
CID 115638420
ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoate
CID 43407383
ethyl 3-methylsulfonylpropanoate
CID 58565961
ethyl 4-(3-methoxy-3-oxopropyl)sulfonyl-3-oxobutanoate
CID 64636908
ethyl 3-[2-aminoethyl(methyl)sulfamoyl]propanoate
CID 62686433
2-[(3-ethoxy-3-oxopropyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 62818554
methyl 2-[cyclohexylmethylsulfonyl(ethyl)amino]acetate
CID 54998272
methyl 2-[3-chloropropylsulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62956977

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate?
The IUPAC name of ethyl 3-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate (CID 54998323) is ethyl 3-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate.
What is the SMILES notation for ethyl 3-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate?
The canonical SMILES for ethyl 3-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate is CCOC(=O)CCS(=O)(=O)N(CC)CC(=O)OC.
What is the InChIKey of ethyl 3-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate?
The InChIKey is HTYURBKJJZXVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6S/c1-4-11(8-10(13)16-3)18(14,15)7-6-9(12)17-5-2/h4-8H2,1-3H3.
What are the key properties of ethyl 3-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate?
ethyl 3-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate has a molecular weight of 281.33 g/mol, XLogP of -0.24, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate is sourced from PubChem (CID 54998323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).