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

C9H16N2O4S — CID 114806441

IUPAC7-(ethylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCCNS(=O)(=O)N1C2CCC1C(C(=O)O)C2
InChIInChI=1S/C9H16N2O4S/c1-2-10-16(14,15)11-6-3-4-8(11)7(5-6)9(12)13/h6-8,10H,2-5H2,1H3,(H,12,13)
InChIKeyBOGDUPJEJSQQRU-UHFFFAOYSA-N
MW248.30 g/mol
LogP-0.22
Rot. Bonds4

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

7-(ethylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 114806441) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is 7-(ethylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-(ethylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID114806441
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC Name7-(ethylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCCNS(=O)(=O)N1C2CCC1C(C(=O)O)C2
InChIInChI=1S/C9H16N2O4S/c1-2-10-16(14,15)11-6-3-4-8(11)7(5-6)9(12)13/h6-8,10H,2-5H2,1H3,(H,12,13)
InChIKeyBOGDUPJEJSQQRU-UHFFFAOYSA-N
XLogP-0.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(propan-2-ylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 114806440
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
7-(3-ethoxy-2-methylpropyl)sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 122072635
7-[2-(ethylsulfamoyl)ethylcarbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 106340888
7-(4-ethoxy-4-oxobutyl)sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 122072261
7-[(4-methylphenyl)methylsulfonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 122072666
(1R,2S,4S)-7-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 23650612
7-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 122072240
7-[4-(diethylcarbamoyl)phenyl]sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 122072273
7-[4-(methoxymethyl)phenyl]sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 122072483
7-(4-bromo-2,5-dimethylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 122072345

Frequently Asked Questions

What is the IUPAC name of 7-(ethylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-(ethylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 114806441) is 7-(ethylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-(ethylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-(ethylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is CCNS(=O)(=O)N1C2CCC1C(C(=O)O)C2.
What is the InChIKey of 7-(ethylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is BOGDUPJEJSQQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-2-10-16(14,15)11-6-3-4-8(11)7(5-6)9(12)13/h6-8,10H,2-5H2,1H3,(H,12,13).
What are the key properties of 7-(ethylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-(ethylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 248.30 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 114806441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).