3-(dimethylsulfamoyl)-2,2-dimethylpropanoic acid

C7H15NO4S — CID 82279978

IUPAC3-(dimethylsulfamoyl)-2,2-dimethylpropanoic acid
SMILESCN(C)S(=O)(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C7H15NO4S/c1-7(2,6(9)10)5-13(11,12)8(3)4/h5H2,1-4H3,(H,9,10)
InChIKeySDMBTMKOVLHCQT-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.01
Rot. Bonds4

About 3-(dimethylsulfamoyl)-2,2-dimethylpropanoic acid

3-(dimethylsulfamoyl)-2,2-dimethylpropanoic acid (PubChem CID 82279978) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-2,2-dimethylpropanoic acid
PubChem CID82279978
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name3-(dimethylsulfamoyl)-2,2-dimethylpropanoic acid
SMILESCN(C)S(=O)(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C7H15NO4S/c1-7(2,6(9)10)5-13(11,12)8(3)4/h5H2,1-4H3,(H,9,10)
InChIKeySDMBTMKOVLHCQT-UHFFFAOYSA-N
XLogP-0.01
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(dimethylsulfamoyl)-2,2-dimethylpropanoic acid (CID 82279978) is 3-(dimethylsulfamoyl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(dimethylsulfamoyl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(dimethylsulfamoyl)-2,2-dimethylpropanoic acid is CN(C)S(=O)(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 3-(dimethylsulfamoyl)-2,2-dimethylpropanoic acid?
The InChIKey is SDMBTMKOVLHCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-7(2,6(9)10)5-13(11,12)8(3)4/h5H2,1-4H3,(H,9,10).
What are the key properties of 3-(dimethylsulfamoyl)-2,2-dimethylpropanoic acid?
3-(dimethylsulfamoyl)-2,2-dimethylpropanoic acid has a molecular weight of 209.27 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 82279978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).