3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]propanoic acid

C13H18N2O6S — CID 75417895

IUPAC3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1
InChIInChI=1S/C13H18N2O6S/c16-11(17)6-7-14-13(18)10-4-5-12(21-10)22(19,20)15-8-2-1-3-9-15/h4-5H,1-3,6-9H2,(H,14,18)(H,16,17)
InChIKeyKCXDJJRQFQGCES-UHFFFAOYSA-N
MW330.36 g/mol
LogP0.66
Rot. Bonds6

About 3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]propanoic acid

3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]propanoic acid (PubChem CID 75417895) has the molecular formula C13H18N2O6S and a molecular weight of 330.36 g/mol. Its IUPAC name is 3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]propanoic acid
PubChem CID75417895
Molecular FormulaC13H18N2O6S
Molecular Weight330.36 g/mol
Exact Mass330.09
IUPAC Name3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1
InChIInChI=1S/C13H18N2O6S/c16-11(17)6-7-14-13(18)10-4-5-12(21-10)22(19,20)15-8-2-1-3-9-15/h4-5H,1-3,6-9H2,(H,14,18)(H,16,17)
InChIKeyKCXDJJRQFQGCES-UHFFFAOYSA-N
XLogP0.66
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55630550
N-(3-morpholin-4-ylpropyl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 35993608
3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 119177170
5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 55920724
N-[2-(dimethylamino)ethyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 110476324
5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)furan-2-carboxamide
CID 30233770
methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate
CID 716787
N-(4-methylsulfonylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55630451
5-(methylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)furan-2-carboxamide
CID 46438806
N-(2,4-dibromophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55631341
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55633664
5-(tert-butylsulfamoyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide
CID 55650330

Frequently Asked Questions

What is the IUPAC name of 3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]propanoic acid (CID 75417895) is 3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]propanoic acid is O=C(O)CCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1.
What is the InChIKey of 3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]propanoic acid?
The InChIKey is KCXDJJRQFQGCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O6S/c16-11(17)6-7-14-13(18)10-4-5-12(21-10)22(19,20)15-8-2-1-3-9-15/h4-5H,1-3,6-9H2,(H,14,18)(H,16,17).
What are the key properties of 3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]propanoic acid?
3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]propanoic acid has a molecular weight of 330.36 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 75417895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).