5-[cyclopropyl(2-methylpropyl)sulfamoyl]furan-2-carboxylic acid

C12H17NO5S — CID 60951974

IUPAC5-[cyclopropyl(2-methylpropyl)sulfamoyl]furan-2-carboxylic acid
SMILESCC(C)CN(C1CC1)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H17NO5S/c1-8(2)7-13(9-3-4-9)19(16,17)11-6-5-10(18-11)12(14)15/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyVKTOOTDNNZMVTR-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.79
Rot. Bonds6

About 5-[cyclopropyl(2-methylpropyl)sulfamoyl]furan-2-carboxylic acid

5-[cyclopropyl(2-methylpropyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 60951974) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-[cyclopropyl(2-methylpropyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopropyl(2-methylpropyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID60951974
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name5-[cyclopropyl(2-methylpropyl)sulfamoyl]furan-2-carboxylic acid
SMILESCC(C)CN(C1CC1)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H17NO5S/c1-8(2)7-13(9-3-4-9)19(16,17)11-6-5-10(18-11)12(14)15/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyVKTOOTDNNZMVTR-UHFFFAOYSA-N
XLogP1.79
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[cyclohexyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 43149844
5-[butan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 43272665
N-cyclopropyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 79187802
5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]furan-2-carboxylic acid
CID 60951869
5-[cyclopropyl(2-methylpropyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60952426
5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]furan-2-carboxylic acid
CID 63236452
4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
CID 61110862
5-[2-cyanoethyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid
CID 43578645
5-[2-methylpropyl(propan-2-yl)amino]furan-2-carboxylic acid
CID 62205507
4-[cyclopropyl(2-methylpropyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 81427123
5-[bis(2-methylpropyl)amino]furan-2-carboxylic acid
CID 62206901
5-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 43149833

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(2-methylpropyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[cyclopropyl(2-methylpropyl)sulfamoyl]furan-2-carboxylic acid (CID 60951974) is 5-[cyclopropyl(2-methylpropyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[cyclopropyl(2-methylpropyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[cyclopropyl(2-methylpropyl)sulfamoyl]furan-2-carboxylic acid is CC(C)CN(C1CC1)S(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[cyclopropyl(2-methylpropyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is VKTOOTDNNZMVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-8(2)7-13(9-3-4-9)19(16,17)11-6-5-10(18-11)12(14)15/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 5-[cyclopropyl(2-methylpropyl)sulfamoyl]furan-2-carboxylic acid?
5-[cyclopropyl(2-methylpropyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(2-methylpropyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 60951974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).