3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid

C8H14N2O4S — CID 164647132

IUPAC3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
SMILESCN(C)S(=O)(=O)N1CC2CC2(C(=O)O)C1
InChIInChI=1S/C8H14N2O4S/c1-9(2)15(13,14)10-4-6-3-8(6,5-10)7(11)12/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyQMAYEMMUJPFEEA-UHFFFAOYSA-N
MW234.28 g/mol
LogP-0.80
Rot. Bonds3

About 3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid

3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid (PubChem CID 164647132) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
PubChem CID164647132
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Name3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
SMILESCN(C)S(=O)(=O)N1CC2CC2(C(=O)O)C1
InChIInChI=1S/C8H14N2O4S/c1-9(2)15(13,14)10-4-6-3-8(6,5-10)7(11)12/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyQMAYEMMUJPFEEA-UHFFFAOYSA-N
XLogP-0.80
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
The IUPAC name of 3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid (CID 164647132) is 3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid.
What is the SMILES notation for 3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
The canonical SMILES for 3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid is CN(C)S(=O)(=O)N1CC2CC2(C(=O)O)C1.
What is the InChIKey of 3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
The InChIKey is QMAYEMMUJPFEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S/c1-9(2)15(13,14)10-4-6-3-8(6,5-10)7(11)12/h6H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid has a molecular weight of 234.28 g/mol, XLogP of -0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid is sourced from PubChem (CID 164647132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).