2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylsulfamoyl]acetic acid

C11H20N2O4S — CID 54898893

IUPAC2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylsulfamoyl]acetic acid
SMILESCN1C2CCC1CC(CNS(=O)(=O)CC(=O)O)C2
InChIInChI=1S/C11H20N2O4S/c1-13-9-2-3-10(13)5-8(4-9)6-12-18(16,17)7-11(14)15/h8-10,12H,2-7H2,1H3,(H,14,15)
InChIKeyMCRHQEQSEDZBCC-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.14
Rot. Bonds5

About 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylsulfamoyl]acetic acid

2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylsulfamoyl]acetic acid (PubChem CID 54898893) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylsulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylsulfamoyl]acetic acid
PubChem CID54898893
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylsulfamoyl]acetic acid
SMILESCN1C2CCC1CC(CNS(=O)(=O)CC(=O)O)C2
InChIInChI=1S/C11H20N2O4S/c1-13-9-2-3-10(13)5-8(4-9)6-12-18(16,17)7-11(14)15/h8-10,12H,2-7H2,1H3,(H,14,15)
InChIKeyMCRHQEQSEDZBCC-UHFFFAOYSA-N
XLogP-0.14
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylsulfamoyl]acetic acid?
The IUPAC name of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylsulfamoyl]acetic acid (CID 54898893) is 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylsulfamoyl]acetic acid.
What is the SMILES notation for 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylsulfamoyl]acetic acid?
The canonical SMILES for 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylsulfamoyl]acetic acid is CN1C2CCC1CC(CNS(=O)(=O)CC(=O)O)C2.
What is the InChIKey of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylsulfamoyl]acetic acid?
The InChIKey is MCRHQEQSEDZBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-13-9-2-3-10(13)5-8(4-9)6-12-18(16,17)7-11(14)15/h8-10,12H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylsulfamoyl]acetic acid?
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylsulfamoyl]acetic acid has a molecular weight of 276.36 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylsulfamoyl]acetic acid is sourced from PubChem (CID 54898893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).