4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-5-methylfuran-2-carboxylic acid

C13H19NO6S — CID 115358240

IUPAC4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCC1(CO)CCCC1
InChIInChI=1S/C13H19NO6S/c1-9-11(6-10(20-9)12(16)17)21(18,19)14-7-13(8-15)4-2-3-5-13/h6,14-15H,2-5,7-8H2,1H3,(H,16,17)
InChIKeyGOKNBYTZDOLKQV-UHFFFAOYSA-N
MW317.36 g/mol
LogP1.12
Rot. Bonds6

About 4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-5-methylfuran-2-carboxylic acid

4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 115358240) has the molecular formula C13H19NO6S and a molecular weight of 317.36 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID115358240
Molecular FormulaC13H19NO6S
Molecular Weight317.36 g/mol
Exact Mass317.09
IUPAC Name4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCC1(CO)CCCC1
InChIInChI=1S/C13H19NO6S/c1-9-11(6-10(20-9)12(16)17)21(18,19)14-7-13(8-15)4-2-3-5-13/h6,14-15H,2-5,7-8H2,1H3,(H,16,17)
InChIKeyGOKNBYTZDOLKQV-UHFFFAOYSA-N
XLogP1.12
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-4-(pyrrolidine-1-sulfonyl)furan-2-carboxylic acid
CID 39870862
4-(Dimethylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 39733398
5-Methyl-4-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid
CID 55119774
5-Methyl-4-(3,3,3-trifluoropropylsulfamoyl)furan-2-carboxylic acid
CID 63226084
5-Methyl-4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]furan-2-carboxylic acid
CID 63827852
4-[2-(2,2-Difluoroethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 103091340
5-Methyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]furan-2-carboxylic acid
CID 105642769
4-[(3,3-Difluoro-2-hydroxypropyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 105642906
5-Methyl-4-(4,4,4-trifluorobutan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 105928935
4-[(2,2-Difluoro-3-hydroxypropyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 106168625
5-Methyl-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid
CID 106290601
4-(2,2-Difluoroethylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 115405520

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-5-methylfuran-2-carboxylic acid (CID 115358240) is 4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)NCC1(CO)CCCC1.
What is the InChIKey of 4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is GOKNBYTZDOLKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO6S/c1-9-11(6-10(20-9)12(16)17)21(18,19)14-7-13(8-15)4-2-3-5-13/h6,14-15H,2-5,7-8H2,1H3,(H,16,17).
What are the key properties of 4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 317.36 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 115358240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).