methyl 3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)propanoate

C11H20N2O4S — CID 54951158

IUPACmethyl 3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)propanoate
SMILESCOC(=O)CCS(=O)(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C11H20N2O4S/c1-17-11(14)4-5-18(15,16)13-10-6-8-2-3-9(7-10)12-8/h8-10,12-13H,2-7H2,1H3
InChIKeyWMGJTPGXBWZUIU-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.25
Rot. Bonds5

About methyl 3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)propanoate

methyl 3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)propanoate (PubChem CID 54951158) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is methyl 3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)propanoate
PubChem CID54951158
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Namemethyl 3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)propanoate
SMILESCOC(=O)CCS(=O)(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C11H20N2O4S/c1-17-11(14)4-5-18(15,16)13-10-6-8-2-3-9(7-10)12-8/h8-10,12-13H,2-7H2,1H3
InChIKeyWMGJTPGXBWZUIU-UHFFFAOYSA-N
XLogP-0.25
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)propanoate?
The IUPAC name of methyl 3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)propanoate (CID 54951158) is methyl 3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)propanoate.
What is the SMILES notation for methyl 3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)propanoate?
The canonical SMILES for methyl 3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)propanoate is COC(=O)CCS(=O)(=O)NC1CC2CCC(C1)N2.
What is the InChIKey of methyl 3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)propanoate?
The InChIKey is WMGJTPGXBWZUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-17-11(14)4-5-18(15,16)13-10-6-8-2-3-9(7-10)12-8/h8-10,12-13H,2-7H2,1H3.
What are the key properties of methyl 3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)propanoate?
methyl 3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)propanoate has a molecular weight of 276.36 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)propanoate is sourced from PubChem (CID 54951158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).