methyl 5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-4-methoxythiophene-2-carboxylate;hydrochloride

C13H23ClN2O5S2 — CID 119991707

IUPACmethyl 5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-4-methoxythiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(OC)c(S(=O)(=O)N(C)CC(C)(C)CN)s1.Cl
InChIInChI=1S/C13H22N2O5S2.ClH/c1-13(2,7-14)8-15(3)22(17,18)12-9(19-4)6-10(21-12)11(16)20-5;/h6H,7-8,14H2,1-5H3;1H
InChIKeyZQAXOAIURUPLFN-UHFFFAOYSA-N
MW386.92 g/mol
LogP1.57
Rot. Bonds7

About methyl 5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-4-methoxythiophene-2-carboxylate;hydrochloride

methyl 5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-4-methoxythiophene-2-carboxylate;hydrochloride (PubChem CID 119991707) has the molecular formula C13H23ClN2O5S2 and a molecular weight of 386.92 g/mol. Its IUPAC name is methyl 5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-4-methoxythiophene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-4-methoxythiophene-2-carboxylate;hydrochloride
PubChem CID119991707
Molecular FormulaC13H23ClN2O5S2
Molecular Weight386.92 g/mol
Exact Mass386.07
IUPAC Namemethyl 5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-4-methoxythiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(OC)c(S(=O)(=O)N(C)CC(C)(C)CN)s1.Cl
InChIInChI=1S/C13H22N2O5S2.ClH/c1-13(2,7-14)8-15(3)22(17,18)12-9(19-4)6-10(21-12)11(16)20-5;/h6H,7-8,14H2,1-5H3;1H
InChIKeyZQAXOAIURUPLFN-UHFFFAOYSA-N
XLogP1.57
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-methoxybenzoate;hydrochloride
CID 120712229
N-(3-amino-2,2-dimethylpropyl)-3-methoxy-N-methylthiophene-2-sulfonamide
CID 119991716
methyl 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-4-methoxythiophene-2-carboxylate
CID 119981396
N-(3-amino-2,2-dimethylpropyl)-2,5-dichloro-4-methoxy-N-methylbenzenesulfonamide;hydrochloride
CID 119991685
N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide
CID 79652521
N-(3-amino-2,2-dimethylpropyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide
CID 79653090
methyl 2-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-6-fluorobenzoate
CID 119991903
methyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-4-methoxythiophene-2-carboxylate
CID 119980905
N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide;hydrochloride
CID 119991442
methyl 5-(4-aminopiperidin-1-yl)sulfonyl-4-methoxythiophene-2-carboxylate;hydrochloride
CID 119959228
methyl 4-methoxy-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate;hydrochloride
CID 119960673
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methoxy-N,2-dimethylbenzenesulfonamide
CID 120712215

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-4-methoxythiophene-2-carboxylate;hydrochloride?
The IUPAC name of methyl 5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-4-methoxythiophene-2-carboxylate;hydrochloride (CID 119991707) is methyl 5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-4-methoxythiophene-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-4-methoxythiophene-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-4-methoxythiophene-2-carboxylate;hydrochloride is COC(=O)c1cc(OC)c(S(=O)(=O)N(C)CC(C)(C)CN)s1.Cl.
What is the InChIKey of methyl 5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-4-methoxythiophene-2-carboxylate;hydrochloride?
The InChIKey is ZQAXOAIURUPLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S2.ClH/c1-13(2,7-14)8-15(3)22(17,18)12-9(19-4)6-10(21-12)11(16)20-5;/h6H,7-8,14H2,1-5H3;1H.
What are the key properties of methyl 5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-4-methoxythiophene-2-carboxylate;hydrochloride?
methyl 5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-4-methoxythiophene-2-carboxylate;hydrochloride has a molecular weight of 386.92 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-4-methoxythiophene-2-carboxylate;hydrochloride is sourced from PubChem (CID 119991707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).