4-[2-(ethylsulfamoyl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid

C10H20N2O5S — CID 106334761

IUPAC4-[2-(ethylsulfamoyl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCNS(=O)(=O)CCNC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C10H20N2O5S/c1-4-12-18(16,17)6-5-11-8(13)7-10(2,3)9(14)15/h12H,4-7H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyBIEQLCLSDNLPOW-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.46
Rot. Bonds8

About 4-[2-(ethylsulfamoyl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid

4-[2-(ethylsulfamoyl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 106334761) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-[2-(ethylsulfamoyl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-(ethylsulfamoyl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID106334761
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name4-[2-(ethylsulfamoyl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCNS(=O)(=O)CCNC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C10H20N2O5S/c1-4-12-18(16,17)6-5-11-8(13)7-10(2,3)9(14)15/h12H,4-7H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyBIEQLCLSDNLPOW-UHFFFAOYSA-N
XLogP-0.46
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylsulfamoyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944363
2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide
CID 106335462
6-[2-(ethylsulfamoyl)ethylamino]-6-oxohexanoic acid
CID 114174957
4-(2-aminoethylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65302363
N-[2-(ethylsulfamoyl)ethyl]-4-hydroxypentanamide
CID 106342894
2-[tert-butyl-[2-(ethylsulfamoyl)ethylcarbamoyl]amino]acetic acid
CID 106340782
4-(4-hydroxybutylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 106840413
2-(aminomethyl)-2-ethyl-N-[2-(ethylsulfamoyl)ethyl]butanamide
CID 103840332
7-amino-N-[2-(ethylsulfamoyl)ethyl]heptanamide
CID 113266677
2-(butan-2-ylamino)-N-[2-(ethylsulfamoyl)ethyl]acetamide
CID 114175247
4-[2-(ethylsulfamoyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 106340043
2-amino-N-[2-(ethylsulfamoyl)ethyl]propanamide
CID 103796449

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylsulfamoyl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[2-(ethylsulfamoyl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid (CID 106334761) is 4-[2-(ethylsulfamoyl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-(ethylsulfamoyl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[2-(ethylsulfamoyl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid is CCNS(=O)(=O)CCNC(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 4-[2-(ethylsulfamoyl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is BIEQLCLSDNLPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-4-12-18(16,17)6-5-11-8(13)7-10(2,3)9(14)15/h12H,4-7H2,1-3H3,(H,11,13)(H,14,15).
What are the key properties of 4-[2-(ethylsulfamoyl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid?
4-[2-(ethylsulfamoyl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 280.35 g/mol, XLogP of -0.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylsulfamoyl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 106334761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).