ethyl 2-(butylsulfamoyl)-2-methylpropanoate

C10H21NO4S — CID 59634292

IUPACethyl 2-(butylsulfamoyl)-2-methylpropanoate
SMILESCCCCNS(=O)(=O)C(C)(C)C(=O)OCC
InChIInChI=1S/C10H21NO4S/c1-5-7-8-11-16(13,14)10(3,4)9(12)15-6-2/h11H,5-8H2,1-4H3
InChIKeyZWOIJURWEZDNHI-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.05
Rot. Bonds7

About ethyl 2-(butylsulfamoyl)-2-methylpropanoate

ethyl 2-(butylsulfamoyl)-2-methylpropanoate (PubChem CID 59634292) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is ethyl 2-(butylsulfamoyl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(butylsulfamoyl)-2-methylpropanoate
PubChem CID59634292
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Nameethyl 2-(butylsulfamoyl)-2-methylpropanoate
SMILESCCCCNS(=O)(=O)C(C)(C)C(=O)OCC
InChIInChI=1S/C10H21NO4S/c1-5-7-8-11-16(13,14)10(3,4)9(12)15-6-2/h11H,5-8H2,1-4H3
InChIKeyZWOIJURWEZDNHI-UHFFFAOYSA-N
XLogP1.05
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(butylsulfamoyl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(butylsulfamoyl)-2-methylpropanoate (CID 59634292) is ethyl 2-(butylsulfamoyl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(butylsulfamoyl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(butylsulfamoyl)-2-methylpropanoate is CCCCNS(=O)(=O)C(C)(C)C(=O)OCC.
What is the InChIKey of ethyl 2-(butylsulfamoyl)-2-methylpropanoate?
The InChIKey is ZWOIJURWEZDNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-5-7-8-11-16(13,14)10(3,4)9(12)15-6-2/h11H,5-8H2,1-4H3.
What are the key properties of ethyl 2-(butylsulfamoyl)-2-methylpropanoate?
ethyl 2-(butylsulfamoyl)-2-methylpropanoate has a molecular weight of 251.35 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(butylsulfamoyl)-2-methylpropanoate is sourced from PubChem (CID 59634292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).