4-[(3-hydroxycyclopentyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid

C12H17NO6S — CID 106120479

IUPAC4-[(3-hydroxycyclopentyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCC1CCC(O)C1
InChIInChI=1S/C12H17NO6S/c1-7-11(5-10(19-7)12(15)16)20(17,18)13-6-8-2-3-9(14)4-8/h5,8-9,13-14H,2-4,6H2,1H3,(H,15,16)
InChIKeyKXLGGVBWZWWJAH-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.73
Rot. Bonds5

About 4-[(3-hydroxycyclopentyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid

4-[(3-hydroxycyclopentyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 106120479) has the molecular formula C12H17NO6S and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-[(3-hydroxycyclopentyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-hydroxycyclopentyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID106120479
Molecular FormulaC12H17NO6S
Molecular Weight303.34 g/mol
Exact Mass303.08
IUPAC Name4-[(3-hydroxycyclopentyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCC1CCC(O)C1
InChIInChI=1S/C12H17NO6S/c1-7-11(5-10(19-7)12(15)16)20(17,18)13-6-8-2-3-9(14)4-8/h5,8-9,13-14H,2-4,6H2,1H3,(H,15,16)
InChIKeyKXLGGVBWZWWJAH-UHFFFAOYSA-N
XLogP0.73
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-(oxan-3-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62804859
4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 63683453
4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 63296235
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62803246
4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62805751
5-methyl-4-(2-methylsulfanylethylsulfamoyl)furan-2-carboxylic acid
CID 62804483
5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62804132
3-[(3-hydroxycyclopentyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106120509
N-[(3-hydroxycyclopentyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 103270305
5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid
CID 62803249
4-[2-[cyclopentyl(methyl)amino]ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 167943892
4-(2-ethylsulfinylethylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 113494489

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxycyclopentyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[(3-hydroxycyclopentyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid (CID 106120479) is 4-[(3-hydroxycyclopentyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[(3-hydroxycyclopentyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[(3-hydroxycyclopentyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)NCC1CCC(O)C1.
What is the InChIKey of 4-[(3-hydroxycyclopentyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is KXLGGVBWZWWJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6S/c1-7-11(5-10(19-7)12(15)16)20(17,18)13-6-8-2-3-9(14)4-8/h5,8-9,13-14H,2-4,6H2,1H3,(H,15,16).
What are the key properties of 4-[(3-hydroxycyclopentyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[(3-hydroxycyclopentyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 303.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxycyclopentyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 106120479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).