methyl 2-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate

C9H16N2O4S — CID 61459191

IUPACmethyl 2-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NC1C2CNCC21
InChIInChI=1S/C9H16N2O4S/c1-5(9(12)15-2)16(13,14)11-8-6-3-10-4-7(6)8/h5-8,10-11H,3-4H2,1-2H3
InChIKeyORRPNSKHSKPYTO-UHFFFAOYSA-N
MW248.30 g/mol
LogP-1.31
Rot. Bonds4

About methyl 2-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate

methyl 2-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate (PubChem CID 61459191) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is methyl 2-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate
PubChem CID61459191
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC Namemethyl 2-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NC1C2CNCC21
InChIInChI=1S/C9H16N2O4S/c1-5(9(12)15-2)16(13,14)11-8-6-3-10-4-7(6)8/h5-8,10-11H,3-4H2,1-2H3
InChIKeyORRPNSKHSKPYTO-UHFFFAOYSA-N
XLogP-1.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate?
The IUPAC name of methyl 2-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate (CID 61459191) is methyl 2-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate.
What is the SMILES notation for methyl 2-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate?
The canonical SMILES for methyl 2-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate is COC(=O)C(C)S(=O)(=O)NC1C2CNCC21.
What is the InChIKey of methyl 2-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate?
The InChIKey is ORRPNSKHSKPYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-5(9(12)15-2)16(13,14)11-8-6-3-10-4-7(6)8/h5-8,10-11H,3-4H2,1-2H3.
What are the key properties of methyl 2-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate?
methyl 2-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate has a molecular weight of 248.30 g/mol, XLogP of -1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate is sourced from PubChem (CID 61459191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).