4-(3-methoxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid

C11H17NO6S — CID 43330869

IUPAC4-(3-methoxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
SMILESCOCCCNS(=O)(=O)c1c(C)oc(C)c1C(=O)O
InChIInChI=1S/C11H17NO6S/c1-7-9(11(13)14)10(8(2)18-7)19(15,16)12-5-4-6-17-3/h12H,4-6H2,1-3H3,(H,13,14)
InChIKeyXIELXMZZXCRAGJ-UHFFFAOYSA-N
MW291.32 g/mol
LogP0.91
Rot. Bonds7

About 4-(3-methoxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid

4-(3-methoxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid (PubChem CID 43330869) has the molecular formula C11H17NO6S and a molecular weight of 291.32 g/mol. Its IUPAC name is 4-(3-methoxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-methoxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
PubChem CID43330869
Molecular FormulaC11H17NO6S
Molecular Weight291.32 g/mol
Exact Mass291.08
IUPAC Name4-(3-methoxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
SMILESCOCCCNS(=O)(=O)c1c(C)oc(C)c1C(=O)O
InChIInChI=1S/C11H17NO6S/c1-7-9(11(13)14)10(8(2)18-7)19(15,16)12-5-4-6-17-3/h12H,4-6H2,1-3H3,(H,13,14)
InChIKeyXIELXMZZXCRAGJ-UHFFFAOYSA-N
XLogP0.91
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(3-methoxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid 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

2,5-dimethyl-4-(3-propoxypropylsulfamoyl)furan-3-carboxylic acid
CID 82941535
4-[(4-amino-4-oxobutyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 60864108
2,5-dimethyl-4-(3-methylsulfonylpropylsulfamoyl)furan-3-carboxylic acid
CID 61020522
2,5-dimethyl-4-(3-phenylmethoxypropylsulfamoyl)furan-3-carboxylic acid
CID 122198787
4-[2-(methanesulfonamido)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 43546086
2,5-dimethyl-4-(pent-4-ynylsulfamoyl)furan-3-carboxylic acid
CID 106220027
4-[(5-hydroxy-4-methylpentyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 106155956
4-[2-(dimethylamino)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 43319876
4-(2-but-3-enoxyethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 106395343
2,5-dimethyl-4-(pent-3-ynylsulfamoyl)furan-3-carboxylic acid
CID 116642733
4-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-2,5-dimethylfuran-3-sulfonamide
CID 106001600
methyl 2,5-dimethyl-4-[3-(methylamino)propylsulfamoyl]furan-3-carboxylate;hydrochloride
CID 120874540

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid?
The IUPAC name of 4-(3-methoxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid (CID 43330869) is 4-(3-methoxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid.
What is the SMILES notation for 4-(3-methoxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid?
The canonical SMILES for 4-(3-methoxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid is COCCCNS(=O)(=O)c1c(C)oc(C)c1C(=O)O.
What is the InChIKey of 4-(3-methoxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid?
The InChIKey is XIELXMZZXCRAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO6S/c1-7-9(11(13)14)10(8(2)18-7)19(15,16)12-5-4-6-17-3/h12H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 4-(3-methoxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid?
4-(3-methoxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid has a molecular weight of 291.32 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid is sourced from PubChem (CID 43330869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).