2,2-dimethyl-3-(propan-2-ylsulfamoyl)propanoic acid

C8H17NO4S — CID 28515521

IUPAC2,2-dimethyl-3-(propan-2-ylsulfamoyl)propanoic acid
SMILESCC(C)NS(=O)(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C8H17NO4S/c1-6(2)9-14(12,13)5-8(3,4)7(10)11/h6,9H,5H2,1-4H3,(H,10,11)
InChIKeyMMCWKFDAOJNPKA-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.43
Rot. Bonds5

About 2,2-dimethyl-3-(propan-2-ylsulfamoyl)propanoic acid

2,2-dimethyl-3-(propan-2-ylsulfamoyl)propanoic acid (PubChem CID 28515521) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 2,2-dimethyl-3-(propan-2-ylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(propan-2-ylsulfamoyl)propanoic acid
PubChem CID28515521
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name2,2-dimethyl-3-(propan-2-ylsulfamoyl)propanoic acid
SMILESCC(C)NS(=O)(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C8H17NO4S/c1-6(2)9-14(12,13)5-8(3,4)7(10)11/h6,9H,5H2,1-4H3,(H,10,11)
InChIKeyMMCWKFDAOJNPKA-UHFFFAOYSA-N
XLogP0.43
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(propan-2-ylsulfamoyl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(propan-2-ylsulfamoyl)propanoic acid (CID 28515521) is 2,2-dimethyl-3-(propan-2-ylsulfamoyl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(propan-2-ylsulfamoyl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(propan-2-ylsulfamoyl)propanoic acid is CC(C)NS(=O)(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(propan-2-ylsulfamoyl)propanoic acid?
The InChIKey is MMCWKFDAOJNPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-6(2)9-14(12,13)5-8(3,4)7(10)11/h6,9H,5H2,1-4H3,(H,10,11).
What are the key properties of 2,2-dimethyl-3-(propan-2-ylsulfamoyl)propanoic acid?
2,2-dimethyl-3-(propan-2-ylsulfamoyl)propanoic acid has a molecular weight of 223.29 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(propan-2-ylsulfamoyl)propanoic acid is sourced from PubChem (CID 28515521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).