2-[2-(dimethylsulfamoyl)ethylcarbamoyl]-3,3-dimethylbutanoic acid

C11H22N2O5S — CID 106341871

IUPAC2-[2-(dimethylsulfamoyl)ethylcarbamoyl]-3,3-dimethylbutanoic acid
SMILESCN(C)S(=O)(=O)CCNC(=O)C(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O5S/c1-11(2,3)8(10(15)16)9(14)12-6-7-19(17,18)13(4)5/h8H,6-7H2,1-5H3,(H,12,14)(H,15,16)
InChIKeyPSZBLXNPNQPCFE-UHFFFAOYSA-N
MW294.37 g/mol
LogP-0.26
Rot. Bonds6

About 2-[2-(dimethylsulfamoyl)ethylcarbamoyl]-3,3-dimethylbutanoic acid

2-[2-(dimethylsulfamoyl)ethylcarbamoyl]-3,3-dimethylbutanoic acid (PubChem CID 106341871) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-[2-(dimethylsulfamoyl)ethylcarbamoyl]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[2-(dimethylsulfamoyl)ethylcarbamoyl]-3,3-dimethylbutanoic acid
PubChem CID106341871
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name2-[2-(dimethylsulfamoyl)ethylcarbamoyl]-3,3-dimethylbutanoic acid
SMILESCN(C)S(=O)(=O)CCNC(=O)C(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O5S/c1-11(2,3)8(10(15)16)9(14)12-6-7-19(17,18)13(4)5/h8H,6-7H2,1-5H3,(H,12,14)(H,15,16)
InChIKeyPSZBLXNPNQPCFE-UHFFFAOYSA-N
XLogP-0.26
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylsulfamoyl)ethylcarbamoyl]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[2-(dimethylsulfamoyl)ethylcarbamoyl]-3,3-dimethylbutanoic acid (CID 106341871) is 2-[2-(dimethylsulfamoyl)ethylcarbamoyl]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[2-(dimethylsulfamoyl)ethylcarbamoyl]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[2-(dimethylsulfamoyl)ethylcarbamoyl]-3,3-dimethylbutanoic acid is CN(C)S(=O)(=O)CCNC(=O)C(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-[2-(dimethylsulfamoyl)ethylcarbamoyl]-3,3-dimethylbutanoic acid?
The InChIKey is PSZBLXNPNQPCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-11(2,3)8(10(15)16)9(14)12-6-7-19(17,18)13(4)5/h8H,6-7H2,1-5H3,(H,12,14)(H,15,16).
What are the key properties of 2-[2-(dimethylsulfamoyl)ethylcarbamoyl]-3,3-dimethylbutanoic acid?
2-[2-(dimethylsulfamoyl)ethylcarbamoyl]-3,3-dimethylbutanoic acid has a molecular weight of 294.37 g/mol, XLogP of -0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylsulfamoyl)ethylcarbamoyl]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 106341871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).