2-(ethylsulfamoyl)-2-methylpropanoic acid

C6H13NO4S — CID 59634349

IUPAC2-(ethylsulfamoyl)-2-methylpropanoic acid
SMILESCCNS(=O)(=O)C(C)(C)C(=O)O
InChIInChI=1S/C6H13NO4S/c1-4-7-12(10,11)6(2,3)5(8)9/h7H,4H2,1-3H3,(H,8,9)
InChIKeyBPYJGZHJGGCMPO-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.21
Rot. Bonds4

About 2-(ethylsulfamoyl)-2-methylpropanoic acid

2-(ethylsulfamoyl)-2-methylpropanoic acid (PubChem CID 59634349) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-(ethylsulfamoyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(ethylsulfamoyl)-2-methylpropanoic acid
PubChem CID59634349
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name2-(ethylsulfamoyl)-2-methylpropanoic acid
SMILESCCNS(=O)(=O)C(C)(C)C(=O)O
InChIInChI=1S/C6H13NO4S/c1-4-7-12(10,11)6(2,3)5(8)9/h7H,4H2,1-3H3,(H,8,9)
InChIKeyBPYJGZHJGGCMPO-UHFFFAOYSA-N
XLogP-0.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfamoyl)-2-methylpropanoic acid?
The IUPAC name of 2-(ethylsulfamoyl)-2-methylpropanoic acid (CID 59634349) is 2-(ethylsulfamoyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(ethylsulfamoyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(ethylsulfamoyl)-2-methylpropanoic acid is CCNS(=O)(=O)C(C)(C)C(=O)O.
What is the InChIKey of 2-(ethylsulfamoyl)-2-methylpropanoic acid?
The InChIKey is BPYJGZHJGGCMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-4-7-12(10,11)6(2,3)5(8)9/h7H,4H2,1-3H3,(H,8,9).
What are the key properties of 2-(ethylsulfamoyl)-2-methylpropanoic acid?
2-(ethylsulfamoyl)-2-methylpropanoic acid has a molecular weight of 195.24 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfamoyl)-2-methylpropanoic acid is sourced from PubChem (CID 59634349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).