methyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-4-methoxythiophene-2-carboxylate

C13H20N2O5S2 — CID 119980905

IUPACmethyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-4-methoxythiophene-2-carboxylate
SMILESCOC(=O)c1cc(OC)c(S(=O)(=O)NC2(CN)CCCC2)s1
InChIInChI=1S/C13H20N2O5S2/c1-19-9-7-10(11(16)20-2)21-12(9)22(17,18)15-13(8-14)5-3-4-6-13/h7,15H,3-6,8,14H2,1-2H3
InChIKeyLOUFDLFZPHTVAZ-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.09
Rot. Bonds6

About methyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-4-methoxythiophene-2-carboxylate

methyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-4-methoxythiophene-2-carboxylate (PubChem CID 119980905) has the molecular formula C13H20N2O5S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is methyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-4-methoxythiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-4-methoxythiophene-2-carboxylate
PubChem CID119980905
Molecular FormulaC13H20N2O5S2
Molecular Weight348.45 g/mol
Exact Mass348.08
IUPAC Namemethyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-4-methoxythiophene-2-carboxylate
SMILESCOC(=O)c1cc(OC)c(S(=O)(=O)NC2(CN)CCCC2)s1
InChIInChI=1S/C13H20N2O5S2/c1-19-9-7-10(11(16)20-2)21-12(9)22(17,18)15-13(8-14)5-3-4-6-13/h7,15H,3-6,8,14H2,1-2H3
InChIKeyLOUFDLFZPHTVAZ-UHFFFAOYSA-N
XLogP1.09
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-4-methoxythiophene-2-carboxylate with MolForge

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Related Compounds

methyl 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-4-methoxythiophene-2-carboxylate
CID 119981396
N-[1-(aminomethyl)cyclopentyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 119980805
N-[1-(aminomethyl)cyclopentyl]-2,4,6-trimethoxybenzenesulfonamide
CID 120875153
methyl 4-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)thiophene-2-carboxylate;hydrochloride
CID 119974355
N-[1-(aminomethyl)cyclopentyl]-4-cyano-2-methoxybenzenesulfonamide;hydrochloride
CID 120875141
N-[1-(aminomethyl)cyclopentyl]-2-methoxy-4-nitrobenzenesulfonamide
CID 119980674
methyl 4-methoxy-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate;hydrochloride
CID 119960673
methyl 5-bromo-4-[[1-(hydroxymethyl)cyclobutyl]sulfamoyl]thiophene-2-carboxylate
CID 104600258
methyl 5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-4-methoxythiophene-2-carboxylate;hydrochloride
CID 119991707
methyl 5-(4-aminopiperidin-1-yl)sulfonyl-4-methoxythiophene-2-carboxylate;hydrochloride
CID 119959228
ethyl 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]benzoate
CID 119980917
N-[1-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 119980791

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-4-methoxythiophene-2-carboxylate?
The IUPAC name of methyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-4-methoxythiophene-2-carboxylate (CID 119980905) is methyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-4-methoxythiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-4-methoxythiophene-2-carboxylate?
The canonical SMILES for methyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-4-methoxythiophene-2-carboxylate is COC(=O)c1cc(OC)c(S(=O)(=O)NC2(CN)CCCC2)s1.
What is the InChIKey of methyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-4-methoxythiophene-2-carboxylate?
The InChIKey is LOUFDLFZPHTVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S2/c1-19-9-7-10(11(16)20-2)21-12(9)22(17,18)15-13(8-14)5-3-4-6-13/h7,15H,3-6,8,14H2,1-2H3.
What are the key properties of methyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-4-methoxythiophene-2-carboxylate?
methyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-4-methoxythiophene-2-carboxylate has a molecular weight of 348.45 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-4-methoxythiophene-2-carboxylate is sourced from PubChem (CID 119980905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).