methyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoylmethyl)benzoate

C14H18N2O4S — CID 43597483

IUPACmethyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoylmethyl)benzoate
SMILESCOC(=O)c1cccc(CS(=O)(=O)NC2C3CNCC32)c1
InChIInChI=1S/C14H18N2O4S/c1-20-14(17)10-4-2-3-9(5-10)8-21(18,19)16-13-11-6-15-7-12(11)13/h2-5,11-13,15-16H,6-8H2,1H3
InChIKeyNCNXHFMOQXCQMD-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.11
Rot. Bonds5

About methyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoylmethyl)benzoate

methyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoylmethyl)benzoate (PubChem CID 43597483) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is methyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoylmethyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoylmethyl)benzoate
PubChem CID43597483
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Namemethyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoylmethyl)benzoate
SMILESCOC(=O)c1cccc(CS(=O)(=O)NC2C3CNCC32)c1
InChIInChI=1S/C14H18N2O4S/c1-20-14(17)10-4-2-3-9(5-10)8-21(18,19)16-13-11-6-15-7-12(11)13/h2-5,11-13,15-16H,6-8H2,1H3
InChIKeyNCNXHFMOQXCQMD-UHFFFAOYSA-N
XLogP0.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoylmethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(piperidin-4-ylsulfamoylmethyl)benzoate;hydrochloride
CID 119960840
methyl 3-(tert-butylsulfamoylmethyl)benzoate
CID 62065364
methyl 3-(2-piperazin-1-ylethylsulfamoylmethyl)benzoate
CID 119966716
sodium (3-methoxycarbonylphenyl)methanesulfonate
CID 112705013
methyl 3-(3-aminopropylsulfamoylmethyl)benzoate
CID 43605718
(2R)-3-hydroxy-2-[(3-methoxycarbonylphenyl)methylsulfonylamino]propanoic acid
CID 80755909
methyl 3-[(2-amino-2-oxoethoxy)sulfamoylmethyl]benzoate
CID 115992108
methyl 3-[(2-hydroxy-3-methylbutyl)sulfamoylmethyl]benzoate
CID 115754965
methyl 3-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoylmethyl]benzoate
CID 120722237
methyl 3-(1-hydroxypentan-3-ylsulfamoylmethyl)benzoate
CID 115755172
methyl 3-[(4-aminopiperidin-1-yl)sulfonylmethyl]benzoate
CID 43556348
methyl 3-[[piperidin-4-yl(propyl)sulfamoyl]methyl]benzoate;hydrochloride
CID 119994180

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoylmethyl)benzoate?
The IUPAC name of methyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoylmethyl)benzoate (CID 43597483) is methyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoylmethyl)benzoate.
What is the SMILES notation for methyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoylmethyl)benzoate?
The canonical SMILES for methyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoylmethyl)benzoate is COC(=O)c1cccc(CS(=O)(=O)NC2C3CNCC32)c1.
What is the InChIKey of methyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoylmethyl)benzoate?
The InChIKey is NCNXHFMOQXCQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-20-14(17)10-4-2-3-9(5-10)8-21(18,19)16-13-11-6-15-7-12(11)13/h2-5,11-13,15-16H,6-8H2,1H3.
What are the key properties of methyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoylmethyl)benzoate?
methyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoylmethyl)benzoate has a molecular weight of 310.38 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoylmethyl)benzoate is sourced from PubChem (CID 43597483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).