ethyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate

C10H18N2O4S — CID 54951069

IUPACethyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate
SMILESCCOC(=O)CCS(=O)(=O)NC1C2CNCC21
InChIInChI=1S/C10H18N2O4S/c1-2-16-9(13)3-4-17(14,15)12-10-7-5-11-6-8(7)10/h7-8,10-12H,2-6H2,1H3
InChIKeySRXOBWBAAXTMFP-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.92
Rot. Bonds6

About ethyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate

ethyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate (PubChem CID 54951069) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is ethyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate
PubChem CID54951069
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Nameethyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate
SMILESCCOC(=O)CCS(=O)(=O)NC1C2CNCC21
InChIInChI=1S/C10H18N2O4S/c1-2-16-9(13)3-4-17(14,15)12-10-7-5-11-6-8(7)10/h7-8,10-12H,2-6H2,1H3
InChIKeySRXOBWBAAXTMFP-UHFFFAOYSA-N
XLogP-0.92
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate?
The IUPAC name of ethyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate (CID 54951069) is ethyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate.
What is the SMILES notation for ethyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate?
The canonical SMILES for ethyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate is CCOC(=O)CCS(=O)(=O)NC1C2CNCC21.
What is the InChIKey of ethyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate?
The InChIKey is SRXOBWBAAXTMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-2-16-9(13)3-4-17(14,15)12-10-7-5-11-6-8(7)10/h7-8,10-12H,2-6H2,1H3.
What are the key properties of ethyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate?
ethyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate has a molecular weight of 262.33 g/mol, XLogP of -0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate is sourced from PubChem (CID 54951069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).