ethyl 2-[ethoxy(ethyl)sulfamoyl]-2-methylpropanoate

C10H21NO5S — CID 87571776

IUPACethyl 2-[ethoxy(ethyl)sulfamoyl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)(=O)N(CC)OCC
InChIInChI=1S/C10H21NO5S/c1-6-11(16-8-3)17(13,14)10(4,5)9(12)15-7-2/h6-8H2,1-5H3
InChIKeyPUYCXUSMGSGNGH-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.93
Rot. Bonds7

About ethyl 2-[ethoxy(ethyl)sulfamoyl]-2-methylpropanoate

ethyl 2-[ethoxy(ethyl)sulfamoyl]-2-methylpropanoate (PubChem CID 87571776) has the molecular formula C10H21NO5S and a molecular weight of 267.35 g/mol. Its IUPAC name is ethyl 2-[ethoxy(ethyl)sulfamoyl]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[ethoxy(ethyl)sulfamoyl]-2-methylpropanoate
PubChem CID87571776
Molecular FormulaC10H21NO5S
Molecular Weight267.35 g/mol
Exact Mass267.11
IUPAC Nameethyl 2-[ethoxy(ethyl)sulfamoyl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)(=O)N(CC)OCC
InChIInChI=1S/C10H21NO5S/c1-6-11(16-8-3)17(13,14)10(4,5)9(12)15-7-2/h6-8H2,1-5H3
InChIKeyPUYCXUSMGSGNGH-UHFFFAOYSA-N
XLogP0.93
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethoxy(ethyl)sulfamoyl]-2-methylpropanoate?
The IUPAC name of ethyl 2-[ethoxy(ethyl)sulfamoyl]-2-methylpropanoate (CID 87571776) is ethyl 2-[ethoxy(ethyl)sulfamoyl]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[ethoxy(ethyl)sulfamoyl]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[ethoxy(ethyl)sulfamoyl]-2-methylpropanoate is CCOC(=O)C(C)(C)S(=O)(=O)N(CC)OCC.
What is the InChIKey of ethyl 2-[ethoxy(ethyl)sulfamoyl]-2-methylpropanoate?
The InChIKey is PUYCXUSMGSGNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5S/c1-6-11(16-8-3)17(13,14)10(4,5)9(12)15-7-2/h6-8H2,1-5H3.
What are the key properties of ethyl 2-[ethoxy(ethyl)sulfamoyl]-2-methylpropanoate?
ethyl 2-[ethoxy(ethyl)sulfamoyl]-2-methylpropanoate has a molecular weight of 267.35 g/mol, XLogP of 0.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethoxy(ethyl)sulfamoyl]-2-methylpropanoate is sourced from PubChem (CID 87571776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).