4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid

C12H19NO6S — CID 106168460

IUPAC4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCCC(C)(CCO)NS(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C12H19NO6S/c1-4-12(3,5-6-14)13-20(17,18)10-7-9(11(15)16)19-8(10)2/h7,13-14H,4-6H2,1-3H3,(H,15,16)
InChIKeyGDASFJBVIHHDAW-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.12
Rot. Bonds7

About 4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid

4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 106168460) has the molecular formula C12H19NO6S and a molecular weight of 305.35 g/mol. Its IUPAC name is 4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID106168460
Molecular FormulaC12H19NO6S
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC Name4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCCC(C)(CCO)NS(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C12H19NO6S/c1-4-12(3,5-6-14)13-20(17,18)10-7-9(11(15)16)19-8(10)2/h7,13-14H,4-6H2,1-3H3,(H,15,16)
InChIKeyGDASFJBVIHHDAW-UHFFFAOYSA-N
XLogP1.12
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]-4-methylbenzoic acid
CID 106168429
4-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 106252767
5-methyl-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 62803052
4-(4-hydroxybutan-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 83177359
5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid
CID 62803249
4-[2-(2-hydroxyethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805420
4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 106168486
5-methyl-4-(2-methylsulfanylethylsulfamoyl)furan-2-carboxylic acid
CID 62804483
4-[[4-(hydroxymethyl)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 115778042
5-amino-2-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165463
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62803246
4-amino-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165228

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid (CID 106168460) is 4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid is CCC(C)(CCO)NS(=O)(=O)c1cc(C(=O)O)oc1C.
What is the InChIKey of 4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is GDASFJBVIHHDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO6S/c1-4-12(3,5-6-14)13-20(17,18)10-7-9(11(15)16)19-8(10)2/h7,13-14H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 305.35 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 106168460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).