ethyl 3-[(2-hydroxy-3-methoxypropyl)-methylsulfamoyl]propanoate

C10H21NO6S — CID 54998649

IUPACethyl 3-[(2-hydroxy-3-methoxypropyl)-methylsulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)N(C)CC(O)COC
InChIInChI=1S/C10H21NO6S/c1-4-17-10(13)5-6-18(14,15)11(2)7-9(12)8-16-3/h9,12H,4-8H2,1-3H3
InChIKeyCPILLTWQHGIEQU-UHFFFAOYSA-N
MW283.35 g/mol
LogP-0.79
Rot. Bonds9

About ethyl 3-[(2-hydroxy-3-methoxypropyl)-methylsulfamoyl]propanoate

ethyl 3-[(2-hydroxy-3-methoxypropyl)-methylsulfamoyl]propanoate (PubChem CID 54998649) has the molecular formula C10H21NO6S and a molecular weight of 283.35 g/mol. Its IUPAC name is ethyl 3-[(2-hydroxy-3-methoxypropyl)-methylsulfamoyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2-hydroxy-3-methoxypropyl)-methylsulfamoyl]propanoate
PubChem CID54998649
Molecular FormulaC10H21NO6S
Molecular Weight283.35 g/mol
Exact Mass283.11
IUPAC Nameethyl 3-[(2-hydroxy-3-methoxypropyl)-methylsulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)N(C)CC(O)COC
InChIInChI=1S/C10H21NO6S/c1-4-17-10(13)5-6-18(14,15)11(2)7-9(12)8-16-3/h9,12H,4-8H2,1-3H3
InChIKeyCPILLTWQHGIEQU-UHFFFAOYSA-N
XLogP-0.79
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-hydroxy-3-methoxypropyl)-methylsulfamoyl]propanoate?
The IUPAC name of ethyl 3-[(2-hydroxy-3-methoxypropyl)-methylsulfamoyl]propanoate (CID 54998649) is ethyl 3-[(2-hydroxy-3-methoxypropyl)-methylsulfamoyl]propanoate.
What is the SMILES notation for ethyl 3-[(2-hydroxy-3-methoxypropyl)-methylsulfamoyl]propanoate?
The canonical SMILES for ethyl 3-[(2-hydroxy-3-methoxypropyl)-methylsulfamoyl]propanoate is CCOC(=O)CCS(=O)(=O)N(C)CC(O)COC.
What is the InChIKey of ethyl 3-[(2-hydroxy-3-methoxypropyl)-methylsulfamoyl]propanoate?
The InChIKey is CPILLTWQHGIEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO6S/c1-4-17-10(13)5-6-18(14,15)11(2)7-9(12)8-16-3/h9,12H,4-8H2,1-3H3.
What are the key properties of ethyl 3-[(2-hydroxy-3-methoxypropyl)-methylsulfamoyl]propanoate?
ethyl 3-[(2-hydroxy-3-methoxypropyl)-methylsulfamoyl]propanoate has a molecular weight of 283.35 g/mol, XLogP of -0.79, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-hydroxy-3-methoxypropyl)-methylsulfamoyl]propanoate is sourced from PubChem (CID 54998649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).