7-(propan-2-ylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C10H18N2O4S — CID 114806440

IUPAC7-(propan-2-ylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC(C)NS(=O)(=O)N1C2CCC1C(C(=O)O)C2
InChIInChI=1S/C10H18N2O4S/c1-6(2)11-17(15,16)12-7-3-4-9(12)8(5-7)10(13)14/h6-9,11H,3-5H2,1-2H3,(H,13,14)
InChIKeyFGNHQGBRTQESJR-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.17
Rot. Bonds4

About 7-(propan-2-ylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-(propan-2-ylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 114806440) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 7-(propan-2-ylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-(propan-2-ylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID114806440
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name7-(propan-2-ylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC(C)NS(=O)(=O)N1C2CCC1C(C(=O)O)C2
InChIInChI=1S/C10H18N2O4S/c1-6(2)11-17(15,16)12-7-3-4-9(12)8(5-7)10(13)14/h6-9,11H,3-5H2,1-2H3,(H,13,14)
InChIKeyFGNHQGBRTQESJR-UHFFFAOYSA-N
XLogP0.17
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(ethylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 114806441
7-(3-ethoxy-2-methylpropyl)sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 122072635
7-pentylsulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 122072478
7-[methyl(propyl)sulfamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 122072409
(1R,2S,4S)-7-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 23650612
7-(2-methylsulfanylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 122072521
7-(4-bromo-2,5-dimethylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 122072345
7-[(4-methylphenyl)methylsulfonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 122072666
7-(3-bromo-5-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 122072520
(1S,5R,6S)-8-methyl-8-azabicyclo[3.2.1]octane-6-carboxylic acid
CID 131859498
7-[4-(methoxymethyl)phenyl]sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 122072483
7-(2,5-dimethyl-4-nitrophenyl)sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 122072677

Frequently Asked Questions

What is the IUPAC name of 7-(propan-2-ylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-(propan-2-ylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 114806440) is 7-(propan-2-ylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-(propan-2-ylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-(propan-2-ylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is CC(C)NS(=O)(=O)N1C2CCC1C(C(=O)O)C2.
What is the InChIKey of 7-(propan-2-ylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is FGNHQGBRTQESJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-6(2)11-17(15,16)12-7-3-4-9(12)8(5-7)10(13)14/h6-9,11H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 7-(propan-2-ylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-(propan-2-ylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(propan-2-ylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 114806440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).