3-(tert-butylsulfamoyl)-2,2-dimethylpropanoic acid

C9H19NO4S — CID 28515696

IUPAC3-(tert-butylsulfamoyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(C)NS(=O)(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C9H19NO4S/c1-8(2,3)10-15(13,14)6-9(4,5)7(11)12/h10H,6H2,1-5H3,(H,11,12)
InChIKeySYWINHCVPIGNGJ-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.82
Rot. Bonds4

About 3-(tert-butylsulfamoyl)-2,2-dimethylpropanoic acid

3-(tert-butylsulfamoyl)-2,2-dimethylpropanoic acid (PubChem CID 28515696) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-2,2-dimethylpropanoic acid
PubChem CID28515696
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name3-(tert-butylsulfamoyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(C)NS(=O)(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C9H19NO4S/c1-8(2,3)10-15(13,14)6-9(4,5)7(11)12/h10H,6H2,1-5H3,(H,11,12)
InChIKeySYWINHCVPIGNGJ-UHFFFAOYSA-N
XLogP0.82
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(tert-butylsulfamoyl)-2,2-dimethylpropanoic acid (CID 28515696) is 3-(tert-butylsulfamoyl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(tert-butylsulfamoyl)-2,2-dimethylpropanoic acid is CC(C)(C)NS(=O)(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 3-(tert-butylsulfamoyl)-2,2-dimethylpropanoic acid?
The InChIKey is SYWINHCVPIGNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-8(2,3)10-15(13,14)6-9(4,5)7(11)12/h10H,6H2,1-5H3,(H,11,12).
What are the key properties of 3-(tert-butylsulfamoyl)-2,2-dimethylpropanoic acid?
3-(tert-butylsulfamoyl)-2,2-dimethylpropanoic acid has a molecular weight of 237.32 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 28515696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).