3-(furan-2-ylmethylsulfamoyl)-2,2-dimethylpropanoic acid

C10H15NO5S — CID 28515608

IUPAC3-(furan-2-ylmethylsulfamoyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CS(=O)(=O)NCc1ccco1)C(=O)O
InChIInChI=1S/C10H15NO5S/c1-10(2,9(12)13)7-17(14,15)11-6-8-4-3-5-16-8/h3-5,11H,6-7H2,1-2H3,(H,12,13)
InChIKeyAXSVICZILOOKFR-UHFFFAOYSA-N
MW261.30 g/mol
LogP0.81
Rot. Bonds6

About 3-(furan-2-ylmethylsulfamoyl)-2,2-dimethylpropanoic acid

3-(furan-2-ylmethylsulfamoyl)-2,2-dimethylpropanoic acid (PubChem CID 28515608) has the molecular formula C10H15NO5S and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-(furan-2-ylmethylsulfamoyl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(furan-2-ylmethylsulfamoyl)-2,2-dimethylpropanoic acid
PubChem CID28515608
Molecular FormulaC10H15NO5S
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC Name3-(furan-2-ylmethylsulfamoyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CS(=O)(=O)NCc1ccco1)C(=O)O
InChIInChI=1S/C10H15NO5S/c1-10(2,9(12)13)7-17(14,15)11-6-8-4-3-5-16-8/h3-5,11H,6-7H2,1-2H3,(H,12,13)
InChIKeyAXSVICZILOOKFR-UHFFFAOYSA-N
XLogP0.81
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-yl)-2,2-dimethylpropanoic acid
CID 62997938
N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide
CID 54866288
3-(furan-2-ylmethylsulfamoyl)-4-(propan-2-ylamino)benzoic acid
CID 99979635
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
tert-butyl (2R)-2-(furan-2-ylmethylamino)propanoate
CID 103773961
2-bromo-3-(furan-2-yl)-2-methylpropanoic acid
CID 67609490
N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-2-methylbenzamide
CID 110345848
N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 17490399
2-(ethylamino)-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 62831893
N-(furan-2-ylmethyl)acetamide
CID 2394850
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
2-[ethyl(furan-2-ylmethylcarbamoyl)amino]-2-methylpropanoic acid
CID 62822299

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylsulfamoyl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(furan-2-ylmethylsulfamoyl)-2,2-dimethylpropanoic acid (CID 28515608) is 3-(furan-2-ylmethylsulfamoyl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(furan-2-ylmethylsulfamoyl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(furan-2-ylmethylsulfamoyl)-2,2-dimethylpropanoic acid is CC(C)(CS(=O)(=O)NCc1ccco1)C(=O)O.
What is the InChIKey of 3-(furan-2-ylmethylsulfamoyl)-2,2-dimethylpropanoic acid?
The InChIKey is AXSVICZILOOKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S/c1-10(2,9(12)13)7-17(14,15)11-6-8-4-3-5-16-8/h3-5,11H,6-7H2,1-2H3,(H,12,13).
What are the key properties of 3-(furan-2-ylmethylsulfamoyl)-2,2-dimethylpropanoic acid?
3-(furan-2-ylmethylsulfamoyl)-2,2-dimethylpropanoic acid has a molecular weight of 261.30 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylsulfamoyl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 28515608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).