methyl 5-(4-aminobutylsulfamoyl)furan-3-carboxylate;hydrochloride

C10H17ClN2O5S — CID 120583285

IUPACmethyl 5-(4-aminobutylsulfamoyl)furan-3-carboxylate;hydrochloride
SMILESCOC(=O)c1coc(S(=O)(=O)NCCCCN)c1.Cl
InChIInChI=1S/C10H16N2O5S.ClH/c1-16-10(13)8-6-9(17-7-8)18(14,15)12-5-3-2-4-11;/h6-7,12H,2-5,11H2,1H3;1H
InChIKeyZCNZEGLPGNEKDZ-UHFFFAOYSA-N
MW312.78 g/mol
LogP0.51
Rot. Bonds7

About methyl 5-(4-aminobutylsulfamoyl)furan-3-carboxylate;hydrochloride

methyl 5-(4-aminobutylsulfamoyl)furan-3-carboxylate;hydrochloride (PubChem CID 120583285) has the molecular formula C10H17ClN2O5S and a molecular weight of 312.78 g/mol. Its IUPAC name is methyl 5-(4-aminobutylsulfamoyl)furan-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-(4-aminobutylsulfamoyl)furan-3-carboxylate;hydrochloride
PubChem CID120583285
Molecular FormulaC10H17ClN2O5S
Molecular Weight312.78 g/mol
Exact Mass312.05
IUPAC Namemethyl 5-(4-aminobutylsulfamoyl)furan-3-carboxylate;hydrochloride
SMILESCOC(=O)c1coc(S(=O)(=O)NCCCCN)c1.Cl
InChIInChI=1S/C10H16N2O5S.ClH/c1-16-10(13)8-6-9(17-7-8)18(14,15)12-5-3-2-4-11;/h6-7,12H,2-5,11H2,1H3;1H
InChIKeyZCNZEGLPGNEKDZ-UHFFFAOYSA-N
XLogP0.51
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-3-carboxylate
CID 120717545
methyl 5-sulfamoylfuran-3-carboxylate
CID 122156795
methyl 4-(4-aminobutylsulfamoyl)thiophene-2-carboxylate
CID 120583848
methyl 5-[[tert-butyl(dimethyl)silyl]sulfamoyl]furan-3-carboxylate
CID 170717835
methyl 4-(3-aminopropylsulfamoyl)-3-chlorobenzoate
CID 119962169
methyl 3-(4-aminobutylsulfamoyl)-2-methylbenzoate
CID 120583645
dimethyl 5-(4-aminobutylamino)benzene-1,3-dicarboxylate
CID 117097341
methyl 4-(4-hydroxybutylsulfamoyl)benzoate
CID 106844012
methyl 4-(3-aminopropylsulfamoyl)-2-methoxybenzoate;hydrochloride
CID 120706751
methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate
CID 43605768
methyl 3-(3-aminopropylsulfamoylmethyl)benzoate
CID 43605718
methyl 5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylfuran-3-carboxylate;hydrochloride
CID 120779109

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-aminobutylsulfamoyl)furan-3-carboxylate;hydrochloride?
The IUPAC name of methyl 5-(4-aminobutylsulfamoyl)furan-3-carboxylate;hydrochloride (CID 120583285) is methyl 5-(4-aminobutylsulfamoyl)furan-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-(4-aminobutylsulfamoyl)furan-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-(4-aminobutylsulfamoyl)furan-3-carboxylate;hydrochloride is COC(=O)c1coc(S(=O)(=O)NCCCCN)c1.Cl.
What is the InChIKey of methyl 5-(4-aminobutylsulfamoyl)furan-3-carboxylate;hydrochloride?
The InChIKey is ZCNZEGLPGNEKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S.ClH/c1-16-10(13)8-6-9(17-7-8)18(14,15)12-5-3-2-4-11;/h6-7,12H,2-5,11H2,1H3;1H.
What are the key properties of methyl 5-(4-aminobutylsulfamoyl)furan-3-carboxylate;hydrochloride?
methyl 5-(4-aminobutylsulfamoyl)furan-3-carboxylate;hydrochloride has a molecular weight of 312.78 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-aminobutylsulfamoyl)furan-3-carboxylate;hydrochloride is sourced from PubChem (CID 120583285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).