methyl 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-4-methoxythiophene-2-carboxylate

C13H22N2O5S2 — CID 119981396

IUPACmethyl 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-4-methoxythiophene-2-carboxylate
SMILESCCC(CC)(CN)NS(=O)(=O)c1sc(C(=O)OC)cc1OC
InChIInChI=1S/C13H22N2O5S2/c1-5-13(6-2,8-14)15-22(17,18)12-9(19-3)7-10(21-12)11(16)20-4/h7,15H,5-6,8,14H2,1-4H3
InChIKeyJAPJAEVFKTURFJ-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.34
Rot. Bonds8

About methyl 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-4-methoxythiophene-2-carboxylate

methyl 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-4-methoxythiophene-2-carboxylate (PubChem CID 119981396) has the molecular formula C13H22N2O5S2 and a molecular weight of 350.46 g/mol. Its IUPAC name is methyl 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-4-methoxythiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-4-methoxythiophene-2-carboxylate
PubChem CID119981396
Molecular FormulaC13H22N2O5S2
Molecular Weight350.46 g/mol
Exact Mass350.10
IUPAC Namemethyl 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-4-methoxythiophene-2-carboxylate
SMILESCCC(CC)(CN)NS(=O)(=O)c1sc(C(=O)OC)cc1OC
InChIInChI=1S/C13H22N2O5S2/c1-5-13(6-2,8-14)15-22(17,18)12-9(19-3)7-10(21-12)11(16)20-4/h7,15H,5-6,8,14H2,1-4H3
InChIKeyJAPJAEVFKTURFJ-UHFFFAOYSA-N
XLogP1.34
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-4-methoxythiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-4-methoxythiophene-2-carboxylate
CID 119980905
methyl 5-[(2-amino-1-cyclopentylethyl)sulfamoyl]-4-methoxythiophene-2-carboxylate
CID 120585239
methyl 5-(1-aminohexan-2-ylsulfamoyl)-4-methoxythiophene-2-carboxylate
CID 119993207
methyl 5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-4-methoxythiophene-2-carboxylate;hydrochloride
CID 119991707
N-[3-(aminomethyl)pentan-3-yl]-2-bromo-4,5-dimethoxybenzenesulfonamide;hydrochloride
CID 119981156
N-[3-(aminomethyl)pentan-3-yl]-2,6-dimethoxybenzenesulfonamide
CID 120710335
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119981154
methyl 4-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)thiophene-2-carboxylate;hydrochloride
CID 119974355
N-[3-(aminomethyl)pentan-3-yl]-3-chloro-4-methoxybenzenesulfonamide
CID 63888398
N-[3-(aminomethyl)pentan-3-yl]-2-methoxy-4,6-dimethylbenzenesulfonamide;hydrochloride
CID 120710294
methyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]-5-chlorobenzoate;hydrochloride
CID 119981323
N-[3-(aminomethyl)pentan-3-yl]-2-methoxy-5-nitrobenzenesulfonamide;hydrochloride
CID 119981158

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-4-methoxythiophene-2-carboxylate?
The IUPAC name of methyl 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-4-methoxythiophene-2-carboxylate (CID 119981396) is methyl 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-4-methoxythiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-4-methoxythiophene-2-carboxylate?
The canonical SMILES for methyl 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-4-methoxythiophene-2-carboxylate is CCC(CC)(CN)NS(=O)(=O)c1sc(C(=O)OC)cc1OC.
What is the InChIKey of methyl 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-4-methoxythiophene-2-carboxylate?
The InChIKey is JAPJAEVFKTURFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S2/c1-5-13(6-2,8-14)15-22(17,18)12-9(19-3)7-10(21-12)11(16)20-4/h7,15H,5-6,8,14H2,1-4H3.
What are the key properties of methyl 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-4-methoxythiophene-2-carboxylate?
methyl 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-4-methoxythiophene-2-carboxylate has a molecular weight of 350.46 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-4-methoxythiophene-2-carboxylate is sourced from PubChem (CID 119981396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).