methyl 2-[[2-(aminomethyl)cyclopentyl]sulfamoylmethyl]benzoate

C15H22N2O4S — CID 119985769

IUPACmethyl 2-[[2-(aminomethyl)cyclopentyl]sulfamoylmethyl]benzoate
SMILESCOC(=O)c1ccccc1CS(=O)(=O)NC1CCCC1CN
InChIInChI=1S/C15H22N2O4S/c1-21-15(18)13-7-3-2-5-12(13)10-22(19,20)17-14-8-4-6-11(14)9-16/h2-3,5,7,11,14,17H,4,6,8-10,16H2,1H3
InChIKeyFHWXPCIRKTZSPB-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.02
Rot. Bonds6

About methyl 2-[[2-(aminomethyl)cyclopentyl]sulfamoylmethyl]benzoate

methyl 2-[[2-(aminomethyl)cyclopentyl]sulfamoylmethyl]benzoate (PubChem CID 119985769) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is methyl 2-[[2-(aminomethyl)cyclopentyl]sulfamoylmethyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(aminomethyl)cyclopentyl]sulfamoylmethyl]benzoate
PubChem CID119985769
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Namemethyl 2-[[2-(aminomethyl)cyclopentyl]sulfamoylmethyl]benzoate
SMILESCOC(=O)c1ccccc1CS(=O)(=O)NC1CCCC1CN
InChIInChI=1S/C15H22N2O4S/c1-21-15(18)13-7-3-2-5-12(13)10-22(19,20)17-14-8-4-6-11(14)9-16/h2-3,5,7,11,14,17H,4,6,8-10,16H2,1H3
InChIKeyFHWXPCIRKTZSPB-UHFFFAOYSA-N
XLogP1.02
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-aminocyclohexyl)sulfamoylmethyl]benzoate
CID 119970801
methyl 2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoate
CID 103836080
methyl 2-[(3-methylpiperidin-4-yl)sulfamoylmethyl]benzoate
CID 120724964
methyl 4-[[(1R,2S)-2-(aminomethyl)cyclohexyl]sulfamoyl]-2-chlorobenzoate
CID 124687158
methyl 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-2-methoxybenzoate
CID 120711172
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 124513952
N-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide
CID 119601875
methyl 2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoylmethyl]benzoate;hydrochloride
CID 120722252
methyl 4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-3-methoxybenzoate
CID 120711044
methyl 2-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-6-fluorobenzoate
CID 119986529
N-[2-(aminomethyl)cyclopentyl]-2-(ethylsulfonylamino)benzamide
CID 119604509
N-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride
CID 119986380

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(aminomethyl)cyclopentyl]sulfamoylmethyl]benzoate?
The IUPAC name of methyl 2-[[2-(aminomethyl)cyclopentyl]sulfamoylmethyl]benzoate (CID 119985769) is methyl 2-[[2-(aminomethyl)cyclopentyl]sulfamoylmethyl]benzoate.
What is the SMILES notation for methyl 2-[[2-(aminomethyl)cyclopentyl]sulfamoylmethyl]benzoate?
The canonical SMILES for methyl 2-[[2-(aminomethyl)cyclopentyl]sulfamoylmethyl]benzoate is COC(=O)c1ccccc1CS(=O)(=O)NC1CCCC1CN.
What is the InChIKey of methyl 2-[[2-(aminomethyl)cyclopentyl]sulfamoylmethyl]benzoate?
The InChIKey is FHWXPCIRKTZSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-21-15(18)13-7-3-2-5-12(13)10-22(19,20)17-14-8-4-6-11(14)9-16/h2-3,5,7,11,14,17H,4,6,8-10,16H2,1H3.
What are the key properties of methyl 2-[[2-(aminomethyl)cyclopentyl]sulfamoylmethyl]benzoate?
methyl 2-[[2-(aminomethyl)cyclopentyl]sulfamoylmethyl]benzoate has a molecular weight of 326.42 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(aminomethyl)cyclopentyl]sulfamoylmethyl]benzoate is sourced from PubChem (CID 119985769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).