5-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfonylfuran-2-carboxylic acid

C13H17NO6S — CID 63943586

IUPAC5-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfonylfuran-2-carboxylic acid
SMILESCC(C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C13H17NO6S/c1-8(12(15)14-9-4-2-3-5-9)21(18,19)11-7-6-10(20-11)13(16)17/h6-9H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyLOXMPHIUOPCUPX-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.20
Rot. Bonds5

About 5-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfonylfuran-2-carboxylic acid

5-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfonylfuran-2-carboxylic acid (PubChem CID 63943586) has the molecular formula C13H17NO6S and a molecular weight of 315.35 g/mol. Its IUPAC name is 5-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfonylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfonylfuran-2-carboxylic acid
PubChem CID63943586
Molecular FormulaC13H17NO6S
Molecular Weight315.35 g/mol
Exact Mass315.08
IUPAC Name5-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfonylfuran-2-carboxylic acid
SMILESCC(C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C13H17NO6S/c1-8(12(15)14-9-4-2-3-5-9)21(18,19)11-7-6-10(20-11)13(16)17/h6-9H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyLOXMPHIUOPCUPX-UHFFFAOYSA-N
XLogP1.20
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-cyclohexylethylsulfamoyl)furan-2-carboxylic acid
CID 62406823
2-benzylsulfonyl-N-cycloheptylpropanamide
CID 46589032
(2S)-N-cyclohexyl-2-(2-fluorophenyl)sulfonylpropanamide
CID 94151255
5-(cyclohexylamino)furan-2-carboxylic acid
CID 62207046
2-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid
CID 43117022
5-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]furan-2-carboxylic acid
CID 43149868
2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopentylpropanamide
CID 81193113
5-[[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]methyl]furan-2-carboxylic acid
CID 113406745
5-[(2-methylcyclopentyl)sulfamoyl]furan-2-carboxylic acid
CID 55171280
5-(1-cyclopentylsulfanylethyl)furan-2-carboxylic acid
CID 79083639
5-[(3,5-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid
CID 64733660
5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 54882569

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfonylfuran-2-carboxylic acid?
The IUPAC name of 5-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfonylfuran-2-carboxylic acid (CID 63943586) is 5-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfonylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfonylfuran-2-carboxylic acid?
The canonical SMILES for 5-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfonylfuran-2-carboxylic acid is CC(C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfonylfuran-2-carboxylic acid?
The InChIKey is LOXMPHIUOPCUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6S/c1-8(12(15)14-9-4-2-3-5-9)21(18,19)11-7-6-10(20-11)13(16)17/h6-9H,2-5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfonylfuran-2-carboxylic acid?
5-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfonylfuran-2-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfonylfuran-2-carboxylic acid is sourced from PubChem (CID 63943586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).