methyl 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)furan-3-carboxylate

C14H23N3O5S — CID 119994394

IUPACmethyl 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)furan-3-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCCN2CCNCC2)oc1C
InChIInChI=1S/C14H23N3O5S/c1-11-12(14(18)21-2)10-13(22-11)23(19,20)16-4-3-7-17-8-5-15-6-9-17/h10,15-16H,3-9H2,1-2H3
InChIKeyTXCBARHLPRIKPL-UHFFFAOYSA-N
MW345.42 g/mol
LogP-0.05
Rot. Bonds7

About methyl 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)furan-3-carboxylate

methyl 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)furan-3-carboxylate (PubChem CID 119994394) has the molecular formula C14H23N3O5S and a molecular weight of 345.42 g/mol. Its IUPAC name is methyl 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)furan-3-carboxylate
PubChem CID119994394
Molecular FormulaC14H23N3O5S
Molecular Weight345.42 g/mol
Exact Mass345.14
IUPAC Namemethyl 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)furan-3-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCCN2CCNCC2)oc1C
InChIInChI=1S/C14H23N3O5S/c1-11-12(14(18)21-2)10-13(22-11)23(19,20)16-4-3-7-17-8-5-15-6-9-17/h10,15-16H,3-9H2,1-2H3
InChIKeyTXCBARHLPRIKPL-UHFFFAOYSA-N
XLogP-0.05
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)furan-3-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 4-methyl-3-(3-piperazin-1-ylpropylsulfamoyl)benzoate;dihydrochloride
CID 119994439
methyl 3-(3-piperazin-1-ylpropylsulfamoyl)benzoate
CID 119994766
methyl 2-methyl-5-[2-(propylamino)ethylsulfamoyl]furan-3-carboxylate
CID 120715852
methyl 2-methyl-5-[2-(tetrazol-2-yl)ethylsulfamoyl]furan-3-carboxylate
CID 146090438
5-(dimethylsulfamoyl)-2-methyl-N-(2-piperazin-1-ylethyl)furan-3-carboxamide;hydrochloride
CID 119449323
methyl 4-chloro-2-(2-piperazin-1-ylethylsulfamoyl)benzoate
CID 119966710
3,5-dimethoxy-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119994383
methyl 2-methyl-5-(pyrrolidin-3-ylsulfamoyl)furan-3-carboxylate
CID 119967240
methyl 5-[2-(4-aminophenyl)ethylsulfamoyl]-2-methylfuran-3-carboxylate
CID 120715512
2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride
CID 119994544
5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390825
methyl 2-fluoro-6-(3-piperazin-1-ylpropylsulfamoyl)benzoate;dihydrochloride
CID 119994378

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)furan-3-carboxylate (CID 119994394) is methyl 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)furan-3-carboxylate is COC(=O)c1cc(S(=O)(=O)NCCCN2CCNCC2)oc1C.
What is the InChIKey of methyl 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)furan-3-carboxylate?
The InChIKey is TXCBARHLPRIKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O5S/c1-11-12(14(18)21-2)10-13(22-11)23(19,20)16-4-3-7-17-8-5-15-6-9-17/h10,15-16H,3-9H2,1-2H3.
What are the key properties of methyl 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)furan-3-carboxylate?
methyl 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)furan-3-carboxylate has a molecular weight of 345.42 g/mol, XLogP of -0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)furan-3-carboxylate is sourced from PubChem (CID 119994394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).