methyl 2,5-dimethyl-4-[3-(methylamino)propylsulfamoyl]furan-3-carboxylate;hydrochloride

C12H21ClN2O5S — CID 120874540

IUPACmethyl 2,5-dimethyl-4-[3-(methylamino)propylsulfamoyl]furan-3-carboxylate;hydrochloride
SMILESCNCCCNS(=O)(=O)c1c(C)oc(C)c1C(=O)OC.Cl
InChIInChI=1S/C12H20N2O5S.ClH/c1-8-10(12(15)18-4)11(9(2)19-8)20(16,17)14-7-5-6-13-3;/h13-14H,5-7H2,1-4H3;1H
InChIKeyOZDUIZYFTFNSMC-UHFFFAOYSA-N
MW340.83 g/mol
LogP0.99
Rot. Bonds7

About methyl 2,5-dimethyl-4-[3-(methylamino)propylsulfamoyl]furan-3-carboxylate;hydrochloride

methyl 2,5-dimethyl-4-[3-(methylamino)propylsulfamoyl]furan-3-carboxylate;hydrochloride (PubChem CID 120874540) has the molecular formula C12H21ClN2O5S and a molecular weight of 340.83 g/mol. Its IUPAC name is methyl 2,5-dimethyl-4-[3-(methylamino)propylsulfamoyl]furan-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2,5-dimethyl-4-[3-(methylamino)propylsulfamoyl]furan-3-carboxylate;hydrochloride
PubChem CID120874540
Molecular FormulaC12H21ClN2O5S
Molecular Weight340.83 g/mol
Exact Mass340.09
IUPAC Namemethyl 2,5-dimethyl-4-[3-(methylamino)propylsulfamoyl]furan-3-carboxylate;hydrochloride
SMILESCNCCCNS(=O)(=O)c1c(C)oc(C)c1C(=O)OC.Cl
InChIInChI=1S/C12H20N2O5S.ClH/c1-8-10(12(15)18-4)11(9(2)19-8)20(16,17)14-7-5-6-13-3;/h13-14H,5-7H2,1-4H3;1H
InChIKeyOZDUIZYFTFNSMC-UHFFFAOYSA-N
XLogP0.99
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2,5-dimethyl-4-[3-(methylamino)propylsulfamoyl]furan-3-carboxylate;hydrochloride 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 4-(2-aminopropylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
CID 63733358
4-(3-methoxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 43330869
methyl 4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 106170343
methyl 4-[(1-aminocycloheptyl)methylsulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 120875685
methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 120875856
dimethyl 2,5-dimethylfuran-3,4-dicarboxylate
CID 12706089
2,5-dimethyl-4-(3-methylsulfonylpropylsulfamoyl)furan-3-carboxylic acid
CID 61020522
methyl 4-(butan-2-ylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
CID 64591193
4-[(4-amino-4-oxobutyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 60864108
2,5-dimethyl-4-(3-propoxypropylsulfamoyl)furan-3-carboxylic acid
CID 82941535
2,5-dimethyl-4-(pent-4-ynylsulfamoyl)furan-3-carboxylic acid
CID 106220027
4-[2-(methanesulfonamido)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 43546086

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dimethyl-4-[3-(methylamino)propylsulfamoyl]furan-3-carboxylate;hydrochloride?
The IUPAC name of methyl 2,5-dimethyl-4-[3-(methylamino)propylsulfamoyl]furan-3-carboxylate;hydrochloride (CID 120874540) is methyl 2,5-dimethyl-4-[3-(methylamino)propylsulfamoyl]furan-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2,5-dimethyl-4-[3-(methylamino)propylsulfamoyl]furan-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 2,5-dimethyl-4-[3-(methylamino)propylsulfamoyl]furan-3-carboxylate;hydrochloride is CNCCCNS(=O)(=O)c1c(C)oc(C)c1C(=O)OC.Cl.
What is the InChIKey of methyl 2,5-dimethyl-4-[3-(methylamino)propylsulfamoyl]furan-3-carboxylate;hydrochloride?
The InChIKey is OZDUIZYFTFNSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S.ClH/c1-8-10(12(15)18-4)11(9(2)19-8)20(16,17)14-7-5-6-13-3;/h13-14H,5-7H2,1-4H3;1H.
What are the key properties of methyl 2,5-dimethyl-4-[3-(methylamino)propylsulfamoyl]furan-3-carboxylate;hydrochloride?
methyl 2,5-dimethyl-4-[3-(methylamino)propylsulfamoyl]furan-3-carboxylate;hydrochloride has a molecular weight of 340.83 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dimethyl-4-[3-(methylamino)propylsulfamoyl]furan-3-carboxylate;hydrochloride is sourced from PubChem (CID 120874540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).