methyl 4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-3-methoxybenzoate

C15H22N2O5S — CID 120711044

IUPACmethyl 4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-3-methoxybenzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC2CCCC2CN)c(OC)c1
InChIInChI=1S/C15H22N2O5S/c1-21-13-8-10(15(18)22-2)6-7-14(13)23(19,20)17-12-5-3-4-11(12)9-16/h6-8,11-12,17H,3-5,9,16H2,1-2H3
InChIKeyDYSNCWJLCKYRKA-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.89
Rot. Bonds6

About methyl 4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-3-methoxybenzoate

methyl 4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-3-methoxybenzoate (PubChem CID 120711044) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is methyl 4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-3-methoxybenzoate
PubChem CID120711044
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Namemethyl 4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-3-methoxybenzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC2CCCC2CN)c(OC)c1
InChIInChI=1S/C15H22N2O5S/c1-21-13-8-10(15(18)22-2)6-7-14(13)23(19,20)17-12-5-3-4-11(12)9-16/h6-8,11-12,17H,3-5,9,16H2,1-2H3
InChIKeyDYSNCWJLCKYRKA-UHFFFAOYSA-N
XLogP0.89
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 124513952
N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethoxybenzenesulfonamide
CID 103835940
N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 124607491
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 124607488
methyl 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-2-methoxybenzoate
CID 120711172
dimethyl 5-[[2-(aminomethyl)cyclohexyl]sulfamoyl]benzene-1,3-dicarboxylate;hydrochloride
CID 119986267
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 124686386
N-[2-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzenesulfonamide;hydrochloride
CID 120711075
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 124688369
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 124688350
methyl 3-methoxy-4-(piperidin-4-ylsulfamoyl)benzoate
CID 120706280
N-[2-(aminomethyl)cyclohexyl]-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 119986113

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-3-methoxybenzoate?
The IUPAC name of methyl 4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-3-methoxybenzoate (CID 120711044) is methyl 4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-3-methoxybenzoate.
What is the SMILES notation for methyl 4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-3-methoxybenzoate?
The canonical SMILES for methyl 4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-3-methoxybenzoate is COC(=O)c1ccc(S(=O)(=O)NC2CCCC2CN)c(OC)c1.
What is the InChIKey of methyl 4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-3-methoxybenzoate?
The InChIKey is DYSNCWJLCKYRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-21-13-8-10(15(18)22-2)6-7-14(13)23(19,20)17-12-5-3-4-11(12)9-16/h6-8,11-12,17H,3-5,9,16H2,1-2H3.
What are the key properties of methyl 4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-3-methoxybenzoate?
methyl 4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-3-methoxybenzoate has a molecular weight of 342.42 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-3-methoxybenzoate is sourced from PubChem (CID 120711044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).