methyl 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-2-methoxybenzoate

C16H24N2O5S — CID 120711172

IUPACmethyl 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC2CCCCC2CN)cc1OC
InChIInChI=1S/C16H24N2O5S/c1-22-15-9-12(7-8-13(15)16(19)23-2)24(20,21)18-14-6-4-3-5-11(14)10-17/h7-9,11,14,18H,3-6,10,17H2,1-2H3
InChIKeyWKLBWDILQYGFIB-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.28
Rot. Bonds6

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

methyl 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-2-methoxybenzoate (PubChem CID 120711172) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is methyl 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-2-methoxybenzoate
PubChem CID120711172
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Namemethyl 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC2CCCCC2CN)cc1OC
InChIInChI=1S/C16H24N2O5S/c1-22-15-9-12(7-8-13(15)16(19)23-2)24(20,21)18-14-6-4-3-5-11(14)10-17/h7-9,11,14,18H,3-6,10,17H2,1-2H3
InChIKeyWKLBWDILQYGFIB-UHFFFAOYSA-N
XLogP1.28
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-2-methoxybenzoate with MolForge

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Related Compounds

methyl 4-[[(1R,2S)-2-(aminomethyl)cyclohexyl]sulfamoyl]-2-chlorobenzoate
CID 124687158
N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 119985927
dimethyl 5-[[2-(aminomethyl)cyclohexyl]sulfamoyl]benzene-1,3-dicarboxylate;hydrochloride
CID 119986267
methyl 4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-3-methoxybenzoate
CID 120711044
N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride
CID 119985790
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
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 124513952
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 124686386
N-[2-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzenesulfonamide;hydrochloride
CID 120711075
N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride
CID 119986263
N-[2-(aminomethyl)cyclopentyl]-4-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 119985813

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-2-methoxybenzoate?
The IUPAC name of methyl 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-2-methoxybenzoate (CID 120711172) is methyl 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-2-methoxybenzoate.
What is the SMILES notation for methyl 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-2-methoxybenzoate?
The canonical SMILES for methyl 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-2-methoxybenzoate is COC(=O)c1ccc(S(=O)(=O)NC2CCCCC2CN)cc1OC.
What is the InChIKey of methyl 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-2-methoxybenzoate?
The InChIKey is WKLBWDILQYGFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-22-15-9-12(7-8-13(15)16(19)23-2)24(20,21)18-14-6-4-3-5-11(14)10-17/h7-9,11,14,18H,3-6,10,17H2,1-2H3.
What are the key properties of methyl 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-2-methoxybenzoate?
methyl 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-2-methoxybenzoate has a molecular weight of 356.44 g/mol, XLogP of 1.28, 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)cyclohexyl]sulfamoyl]-2-methoxybenzoate is sourced from PubChem (CID 120711172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).