4-[(3-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid

C12H17NO6S — CID 103091364

IUPAC4-[(3-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCOC1CCC(NS(=O)(=O)c2cc(C(=O)O)oc2C)C1
InChIInChI=1S/C12H17NO6S/c1-7-11(6-10(19-7)12(14)15)20(16,17)13-8-3-4-9(5-8)18-2/h6,8-9,13H,3-5H2,1-2H3,(H,14,15)
InChIKeyUHYYUBVTLMFMAL-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.13
Rot. Bonds5

About 4-[(3-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid

4-[(3-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 103091364) has the molecular formula C12H17NO6S and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-[(3-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID103091364
Molecular FormulaC12H17NO6S
Molecular Weight303.34 g/mol
Exact Mass303.08
IUPAC Name4-[(3-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCOC1CCC(NS(=O)(=O)c2cc(C(=O)O)oc2C)C1
InChIInChI=1S/C12H17NO6S/c1-7-11(6-10(19-7)12(14)15)20(16,17)13-8-3-4-9(5-8)18-2/h6,8-9,13H,3-5H2,1-2H3,(H,14,15)
InChIKeyUHYYUBVTLMFMAL-UHFFFAOYSA-N
XLogP1.13
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62805751
5-methyl-4-(oxolan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 80717647
4-[(3,3-dimethylcyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 114543702
4-[(2-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805249
4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62803428
4-chloro-3-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid
CID 103091370
5-methyl-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 80714939
5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid
CID 62803276
4-[(2,2-dimethylcyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 79861610
4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 114503126
4-[(3-hydroxycyclopentyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 106120479
5-bromo-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]furan-2-carboxylic acid
CID 104655236

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[(3-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid (CID 103091364) is 4-[(3-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[(3-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[(3-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid is COC1CCC(NS(=O)(=O)c2cc(C(=O)O)oc2C)C1.
What is the InChIKey of 4-[(3-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is UHYYUBVTLMFMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6S/c1-7-11(6-10(19-7)12(14)15)20(16,17)13-8-3-4-9(5-8)18-2/h6,8-9,13H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 4-[(3-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[(3-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 303.34 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 103091364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).