4-(cyclopentylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid

C13H19NO5S — CID 43371010

IUPAC4-(cyclopentylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)NCC2CCCC2)c1C(=O)O
InChIInChI=1S/C13H19NO5S/c1-8-11(13(15)16)12(9(2)19-8)20(17,18)14-7-10-5-3-4-6-10/h10,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyQKPSNNMJMCHJNS-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.06
Rot. Bonds5

About 4-(cyclopentylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid

4-(cyclopentylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid (PubChem CID 43371010) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is 4-(cyclopentylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopentylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
PubChem CID43371010
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name4-(cyclopentylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)NCC2CCCC2)c1C(=O)O
InChIInChI=1S/C13H19NO5S/c1-8-11(13(15)16)12(9(2)19-8)20(17,18)14-7-10-5-3-4-6-10/h10,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyQKPSNNMJMCHJNS-UHFFFAOYSA-N
XLogP2.06
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-4-[(1-methylpyrrolidin-3-yl)methylsulfamoyl]furan-3-carboxylic acid
CID 60857078
4-(dicyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 61482264
4-[2-(methanesulfonamido)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 43546086
2,5-dimethyl-4-[(2-methylcyclopentyl)sulfamoyl]furan-3-carboxylic acid
CID 63281764
4-(3-methoxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 43330869
2,5-dimethyl-4-(3-propoxypropylsulfamoyl)furan-3-carboxylic acid
CID 82941535
4-[2-(dimethylamino)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 43319876
4-[(4-amino-4-oxobutyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 60864108
2,5-dimethyl-4-(3-methylsulfonylpropylsulfamoyl)furan-3-carboxylic acid
CID 61020522
N-(cyclobutylmethyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 106024727
2,5-dimethyl-4-(pent-3-ynylsulfamoyl)furan-3-carboxylic acid
CID 116642733
4-[2-(cyclopenten-1-yl)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 106168071

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid?
The IUPAC name of 4-(cyclopentylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid (CID 43371010) is 4-(cyclopentylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid.
What is the SMILES notation for 4-(cyclopentylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid?
The canonical SMILES for 4-(cyclopentylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid is Cc1oc(C)c(S(=O)(=O)NCC2CCCC2)c1C(=O)O.
What is the InChIKey of 4-(cyclopentylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid?
The InChIKey is QKPSNNMJMCHJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-8-11(13(15)16)12(9(2)19-8)20(17,18)14-7-10-5-3-4-6-10/h10,14H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 4-(cyclopentylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid?
4-(cyclopentylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid has a molecular weight of 301.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid is sourced from PubChem (CID 43371010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).