5-methyl-4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid

C13H14N2O5S — CID 81392372

IUPAC5-methyl-4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)N[C@H](C)c1ccccn1
InChIInChI=1S/C13H14N2O5S/c1-8(10-5-3-4-6-14-10)15-21(18,19)12-7-11(13(16)17)20-9(12)2/h3-8,15H,1-2H3,(H,16,17)/t8-/m1/s1
InChIKeyVVLOHRVTNVYLSW-MRVPVSSYSA-N
MW310.33 g/mol
LogP1.72
Rot. Bonds5

About 5-methyl-4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid

5-methyl-4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid (PubChem CID 81392372) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-methyl-4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid
PubChem CID81392372
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name5-methyl-4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)N[C@H](C)c1ccccn1
InChIInChI=1S/C13H14N2O5S/c1-8(10-5-3-4-6-14-10)15-21(18,19)12-7-11(13(16)17)20-9(12)2/h3-8,15H,1-2H3,(H,16,17)/t8-/m1/s1
InChIKeyVVLOHRVTNVYLSW-MRVPVSSYSA-N
XLogP1.72
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-[[(1S)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid
CID 81393153
5-methyl-4-(2-pyridin-2-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62803786
4-(4-hydroxybutan-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 83177359
4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 55119920
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 17410002
5-methyl-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 62803052
2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46799998
5-methyl-4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 62803072
4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81400706
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
1-methyl-4-(1-pyridin-2-ylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43420085
4-methyl-3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 102748027

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid (CID 81392372) is 5-methyl-4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)N[C@H](C)c1ccccn1.
What is the InChIKey of 5-methyl-4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid?
The InChIKey is VVLOHRVTNVYLSW-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-8(10-5-3-4-6-14-10)15-21(18,19)12-7-11(13(16)17)20-9(12)2/h3-8,15H,1-2H3,(H,16,17)/t8-/m1/s1.
What are the key properties of 5-methyl-4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid?
5-methyl-4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid has a molecular weight of 310.33 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 81392372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).