methyl 5-[2-(methylamino)propylsulfamoyl]isoquinoline-1-carboxylate;hydrochloride

C15H20ClN3O4S — CID 120825306

IUPACmethyl 5-[2-(methylamino)propylsulfamoyl]isoquinoline-1-carboxylate;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1cccc2c(C(=O)OC)nccc12.Cl
InChIInChI=1S/C15H19N3O4S.ClH/c1-10(16-2)9-18-23(20,21)13-6-4-5-12-11(13)7-8-17-14(12)15(19)22-3;/h4-8,10,16,18H,9H2,1-3H3;1H
InChIKeyPAGIRUHJQZJICX-UHFFFAOYSA-N
MW373.86 g/mol
LogP1.33
Rot. Bonds6

About methyl 5-[2-(methylamino)propylsulfamoyl]isoquinoline-1-carboxylate;hydrochloride

methyl 5-[2-(methylamino)propylsulfamoyl]isoquinoline-1-carboxylate;hydrochloride (PubChem CID 120825306) has the molecular formula C15H20ClN3O4S and a molecular weight of 373.86 g/mol. Its IUPAC name is methyl 5-[2-(methylamino)propylsulfamoyl]isoquinoline-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-[2-(methylamino)propylsulfamoyl]isoquinoline-1-carboxylate;hydrochloride
PubChem CID120825306
Molecular FormulaC15H20ClN3O4S
Molecular Weight373.86 g/mol
Exact Mass373.09
IUPAC Namemethyl 5-[2-(methylamino)propylsulfamoyl]isoquinoline-1-carboxylate;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1cccc2c(C(=O)OC)nccc12.Cl
InChIInChI=1S/C15H19N3O4S.ClH/c1-10(16-2)9-18-23(20,21)13-6-4-5-12-11(13)7-8-17-14(12)15(19)22-3;/h4-8,10,16,18H,9H2,1-3H3;1H
InChIKeyPAGIRUHJQZJICX-UHFFFAOYSA-N
XLogP1.33
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-(4-aminobutylsulfamoyl)isoquinoline-1-carboxylate
CID 120583450
methyl 5-fluorosulfonylisoquinoline-1-carboxylate
CID 154832167
methyl 2-fluoro-6-[2-(methylamino)propylsulfamoyl]benzoate
CID 120825283
methyl 5-methyl-2-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride
CID 120824725
methyl (2S)-3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-2-methylpropanoate
CID 100613997
methyl 3-[2-(methylamino)propylsulfamoyl]-1-benzothiophene-2-carboxylate;hydrochloride
CID 120824681
methyl 3,4-dimethyl-5-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride
CID 120824543
2-bromo-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825442
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824589
methyl 5-[3-(methylamino)piperidin-1-yl]sulfonylisoquinoline-1-carboxylate
CID 120715107
methyl 5-cyanoisoquinoline-1-carboxylate
CID 82572062
N-[2-(methylamino)propyl]isoquinoline-1-carboxamide;dihydrochloride
CID 120831709

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(methylamino)propylsulfamoyl]isoquinoline-1-carboxylate;hydrochloride?
The IUPAC name of methyl 5-[2-(methylamino)propylsulfamoyl]isoquinoline-1-carboxylate;hydrochloride (CID 120825306) is methyl 5-[2-(methylamino)propylsulfamoyl]isoquinoline-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-[2-(methylamino)propylsulfamoyl]isoquinoline-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-[2-(methylamino)propylsulfamoyl]isoquinoline-1-carboxylate;hydrochloride is CNC(C)CNS(=O)(=O)c1cccc2c(C(=O)OC)nccc12.Cl.
What is the InChIKey of methyl 5-[2-(methylamino)propylsulfamoyl]isoquinoline-1-carboxylate;hydrochloride?
The InChIKey is PAGIRUHJQZJICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S.ClH/c1-10(16-2)9-18-23(20,21)13-6-4-5-12-11(13)7-8-17-14(12)15(19)22-3;/h4-8,10,16,18H,9H2,1-3H3;1H.
What are the key properties of methyl 5-[2-(methylamino)propylsulfamoyl]isoquinoline-1-carboxylate;hydrochloride?
methyl 5-[2-(methylamino)propylsulfamoyl]isoquinoline-1-carboxylate;hydrochloride has a molecular weight of 373.86 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(methylamino)propylsulfamoyl]isoquinoline-1-carboxylate;hydrochloride is sourced from PubChem (CID 120825306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).