5-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid

C13H18N2O5S — CID 43715406

IUPAC5-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NC2CCN(C3CC3)CC2)o1
InChIInChI=1S/C13H18N2O5S/c16-13(17)11-3-4-12(20-11)21(18,19)14-9-5-7-15(8-6-9)10-1-2-10/h3-4,9-10,14H,1-2,5-8H2,(H,16,17)
InChIKeyIMBQHQNZWJBOSA-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.88
Rot. Bonds5

About 5-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid

5-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 43715406) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 5-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid
PubChem CID43715406
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name5-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NC2CCN(C3CC3)CC2)o1
InChIInChI=1S/C13H18N2O5S/c16-13(17)11-3-4-12(20-11)21(18,19)14-9-5-7-15(8-6-9)10-1-2-10/h3-4,9-10,14H,1-2,5-8H2,(H,16,17)
InChIKeyIMBQHQNZWJBOSA-UHFFFAOYSA-N
XLogP0.88
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid (CID 43715406) is 5-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)NC2CCN(C3CC3)CC2)o1.
What is the InChIKey of 5-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is IMBQHQNZWJBOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c16-13(17)11-3-4-12(20-11)21(18,19)14-9-5-7-15(8-6-9)10-1-2-10/h3-4,9-10,14H,1-2,5-8H2,(H,16,17).
What are the key properties of 5-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid?
5-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 314.36 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 43715406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).