methyl 2-[[3-(methylaminomethyl)phenyl]sulfamoyl]acetate

C11H16N2O4S — CID 55124931

IUPACmethyl 2-[[3-(methylaminomethyl)phenyl]sulfamoyl]acetate
SMILESCNCc1cccc(NS(=O)(=O)CC(=O)OC)c1
InChIInChI=1S/C11H16N2O4S/c1-12-7-9-4-3-5-10(6-9)13-18(15,16)8-11(14)17-2/h3-6,12-13H,7-8H2,1-2H3
InChIKeyXJMMAHXLGDAOAT-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.32
Rot. Bonds6

About methyl 2-[[3-(methylaminomethyl)phenyl]sulfamoyl]acetate

methyl 2-[[3-(methylaminomethyl)phenyl]sulfamoyl]acetate (PubChem CID 55124931) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl 2-[[3-(methylaminomethyl)phenyl]sulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-(methylaminomethyl)phenyl]sulfamoyl]acetate
PubChem CID55124931
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namemethyl 2-[[3-(methylaminomethyl)phenyl]sulfamoyl]acetate
SMILESCNCc1cccc(NS(=O)(=O)CC(=O)OC)c1
InChIInChI=1S/C11H16N2O4S/c1-12-7-9-4-3-5-10(6-9)13-18(15,16)8-11(14)17-2/h3-6,12-13H,7-8H2,1-2H3
InChIKeyXJMMAHXLGDAOAT-UHFFFAOYSA-N
XLogP0.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-formylphenyl)sulfamoyl]acetate
CID 106913056
3,3-dimethyl-N-[3-(methylaminomethyl)phenyl]butane-1-sulfonamide
CID 103521428
methyl 2-[[3-(3-hydroxyprop-1-ynyl)phenyl]sulfamoyl]acetate
CID 61456773
2-[(3-ethylphenyl)sulfamoyl]acetic acid
CID 28773818
2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606229
2-[[3-(hydroxymethyl)phenyl]sulfamoyl]acetic acid
CID 43712124
2-methoxy-2-methyl-N-[3-(methylaminomethyl)phenyl]propanamide
CID 103021373
methyl 2-(benzylsulfamoyl)acetate
CID 130159397
2-[(3-methoxycarbonylphenyl)sulfamoyl]acetic acid
CID 43361772
2-fluoro-5-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 61359529
N-[3-(methylaminomethyl)phenyl]-3-methylsulfonylpropanamide
CID 54895428
N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide
CID 43606208

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(methylaminomethyl)phenyl]sulfamoyl]acetate?
The IUPAC name of methyl 2-[[3-(methylaminomethyl)phenyl]sulfamoyl]acetate (CID 55124931) is methyl 2-[[3-(methylaminomethyl)phenyl]sulfamoyl]acetate.
What is the SMILES notation for methyl 2-[[3-(methylaminomethyl)phenyl]sulfamoyl]acetate?
The canonical SMILES for methyl 2-[[3-(methylaminomethyl)phenyl]sulfamoyl]acetate is CNCc1cccc(NS(=O)(=O)CC(=O)OC)c1.
What is the InChIKey of methyl 2-[[3-(methylaminomethyl)phenyl]sulfamoyl]acetate?
The InChIKey is XJMMAHXLGDAOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-12-7-9-4-3-5-10(6-9)13-18(15,16)8-11(14)17-2/h3-6,12-13H,7-8H2,1-2H3.
What are the key properties of methyl 2-[[3-(methylaminomethyl)phenyl]sulfamoyl]acetate?
methyl 2-[[3-(methylaminomethyl)phenyl]sulfamoyl]acetate has a molecular weight of 272.33 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(methylaminomethyl)phenyl]sulfamoyl]acetate is sourced from PubChem (CID 55124931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).