methyl 4-[(2-aminocyclopropyl)sulfamoylmethyl]benzoate

C12H16N2O4S — CID 43597111

IUPACmethyl 4-[(2-aminocyclopropyl)sulfamoylmethyl]benzoate
SMILESCOC(=O)c1ccc(CS(=O)(=O)NC2CC2N)cc1
InChIInChI=1S/C12H16N2O4S/c1-18-12(15)9-4-2-8(3-5-9)7-19(16,17)14-11-6-10(11)13/h2-5,10-11,14H,6-7,13H2,1H3
InChIKeyNUGNAEPPBSYONN-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.01
Rot. Bonds5

About methyl 4-[(2-aminocyclopropyl)sulfamoylmethyl]benzoate

methyl 4-[(2-aminocyclopropyl)sulfamoylmethyl]benzoate (PubChem CID 43597111) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is methyl 4-[(2-aminocyclopropyl)sulfamoylmethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-aminocyclopropyl)sulfamoylmethyl]benzoate
PubChem CID43597111
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Namemethyl 4-[(2-aminocyclopropyl)sulfamoylmethyl]benzoate
SMILESCOC(=O)c1ccc(CS(=O)(=O)NC2CC2N)cc1
InChIInChI=1S/C12H16N2O4S/c1-18-12(15)9-4-2-8(3-5-9)7-19(16,17)14-11-6-10(11)13/h2-5,10-11,14H,6-7,13H2,1H3
InChIKeyNUGNAEPPBSYONN-UHFFFAOYSA-N
XLogP-0.01
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminocyclopropyl)-1-(4-fluorophenyl)methanesulfonamide
CID 43597025
methyl 4-[[(3R)-piperidin-3-yl]sulfamoylmethyl]benzoate
CID 104645715
N-(2-aminocyclopropyl)-1-(4-nitrophenyl)methanesulfonamide
CID 43596906
methyl 4-[[(2R)-2-hydroxypropyl]sulfamoylmethyl]benzoate
CID 83030316
methyl 4-[[(2S)-butan-2-yl]sulfamoylmethyl]benzoate
CID 28633793
methyl 4-[(4-chlorophenyl)sulfamoylmethyl]benzoate
CID 92683512
methyl 4-(2-cyclopentylsulfanylethylsulfamoylmethyl)benzoate
CID 100751712
methyl 4-(2-methoxyethylsulfonylmethyl)benzoate
CID 43414320
methyl 4-(benzylsulfonylamino)benzoate
CID 743645
methyl 4-[(2,4-difluorophenyl)sulfamoylmethyl]benzoate
CID 92681454
methyl 4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoylmethyl]benzoate
CID 115754806
methyl 4-[3-(azepan-1-yl)propylsulfamoylmethyl]benzoate
CID 92675005

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-aminocyclopropyl)sulfamoylmethyl]benzoate?
The IUPAC name of methyl 4-[(2-aminocyclopropyl)sulfamoylmethyl]benzoate (CID 43597111) is methyl 4-[(2-aminocyclopropyl)sulfamoylmethyl]benzoate.
What is the SMILES notation for methyl 4-[(2-aminocyclopropyl)sulfamoylmethyl]benzoate?
The canonical SMILES for methyl 4-[(2-aminocyclopropyl)sulfamoylmethyl]benzoate is COC(=O)c1ccc(CS(=O)(=O)NC2CC2N)cc1.
What is the InChIKey of methyl 4-[(2-aminocyclopropyl)sulfamoylmethyl]benzoate?
The InChIKey is NUGNAEPPBSYONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-18-12(15)9-4-2-8(3-5-9)7-19(16,17)14-11-6-10(11)13/h2-5,10-11,14H,6-7,13H2,1H3.
What are the key properties of methyl 4-[(2-aminocyclopropyl)sulfamoylmethyl]benzoate?
methyl 4-[(2-aminocyclopropyl)sulfamoylmethyl]benzoate has a molecular weight of 284.34 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-aminocyclopropyl)sulfamoylmethyl]benzoate is sourced from PubChem (CID 43597111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).