7-[methyl(propyl)sulfamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C11H20N2O4S — CID 122072409

IUPAC7-[methyl(propyl)sulfamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCCCN(C)S(=O)(=O)N1C2CCC1C(C(=O)O)C2
InChIInChI=1S/C11H20N2O4S/c1-3-6-12(2)18(16,17)13-8-4-5-10(13)9(7-8)11(14)15/h8-10H,3-7H2,1-2H3,(H,14,15)
InChIKeyZNFMDYGYRAGHDH-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.51
Rot. Bonds5

About 7-[methyl(propyl)sulfamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-[methyl(propyl)sulfamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 122072409) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 7-[methyl(propyl)sulfamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-[methyl(propyl)sulfamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID122072409
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name7-[methyl(propyl)sulfamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCCCN(C)S(=O)(=O)N1C2CCC1C(C(=O)O)C2
InChIInChI=1S/C11H20N2O4S/c1-3-6-12(2)18(16,17)13-8-4-5-10(13)9(7-8)11(14)15/h8-10H,3-7H2,1-2H3,(H,14,15)
InChIKeyZNFMDYGYRAGHDH-UHFFFAOYSA-N
XLogP0.51
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[methyl(propyl)sulfamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-[methyl(propyl)sulfamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 122072409) is 7-[methyl(propyl)sulfamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-[methyl(propyl)sulfamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-[methyl(propyl)sulfamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is CCCN(C)S(=O)(=O)N1C2CCC1C(C(=O)O)C2.
What is the InChIKey of 7-[methyl(propyl)sulfamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is ZNFMDYGYRAGHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-3-6-12(2)18(16,17)13-8-4-5-10(13)9(7-8)11(14)15/h8-10H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 7-[methyl(propyl)sulfamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-[methyl(propyl)sulfamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[methyl(propyl)sulfamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 122072409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).