ethyl 2,2-diethyl-4-sulfamoylbutanoate

C10H21NO4S — CID 10848366

IUPACethyl 2,2-diethyl-4-sulfamoylbutanoate
SMILESCCOC(=O)C(CC)(CC)CCS(N)(=O)=O
InChIInChI=1S/C10H21NO4S/c1-4-10(5-2,9(12)15-6-3)7-8-16(11,13)14/h4-8H2,1-3H3,(H2,11,13,14)
InChIKeyMRRAHLKYAUYJSP-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.03
Rot. Bonds7

About ethyl 2,2-diethyl-4-sulfamoylbutanoate

ethyl 2,2-diethyl-4-sulfamoylbutanoate (PubChem CID 10848366) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is ethyl 2,2-diethyl-4-sulfamoylbutanoate.

Molecular Properties

Compound Nameethyl 2,2-diethyl-4-sulfamoylbutanoate
PubChem CID10848366
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Nameethyl 2,2-diethyl-4-sulfamoylbutanoate
SMILESCCOC(=O)C(CC)(CC)CCS(N)(=O)=O
InChIInChI=1S/C10H21NO4S/c1-4-10(5-2,9(12)15-6-3)7-8-16(11,13)14/h4-8H2,1-3H3,(H2,11,13,14)
InChIKeyMRRAHLKYAUYJSP-UHFFFAOYSA-N
XLogP1.03
TPSA86.46 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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-diethyl-4-sulfamoylbutanoate?
The IUPAC name of ethyl 2,2-diethyl-4-sulfamoylbutanoate (CID 10848366) is ethyl 2,2-diethyl-4-sulfamoylbutanoate.
What is the SMILES notation for ethyl 2,2-diethyl-4-sulfamoylbutanoate?
The canonical SMILES for ethyl 2,2-diethyl-4-sulfamoylbutanoate is CCOC(=O)C(CC)(CC)CCS(N)(=O)=O.
What is the InChIKey of ethyl 2,2-diethyl-4-sulfamoylbutanoate?
The InChIKey is MRRAHLKYAUYJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-4-10(5-2,9(12)15-6-3)7-8-16(11,13)14/h4-8H2,1-3H3,(H2,11,13,14).
What are the key properties of ethyl 2,2-diethyl-4-sulfamoylbutanoate?
ethyl 2,2-diethyl-4-sulfamoylbutanoate has a molecular weight of 251.35 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-diethyl-4-sulfamoylbutanoate is sourced from PubChem (CID 10848366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).