1-(furan-3-ylsulfonyl)piperidine-3-carboxylic acid

C10H13NO5S — CID 120968848

IUPAC1-(furan-3-ylsulfonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)c2ccoc2)C1
InChIInChI=1S/C10H13NO5S/c12-10(13)8-2-1-4-11(6-8)17(14,15)9-3-5-16-7-9/h3,5,7-8H,1-2,4,6H2,(H,12,13)
InChIKeyQNKOBFLXZONFBL-UHFFFAOYSA-N
MW259.28 g/mol
LogP0.76
Rot. Bonds3

About 1-(furan-3-ylsulfonyl)piperidine-3-carboxylic acid

1-(furan-3-ylsulfonyl)piperidine-3-carboxylic acid (PubChem CID 120968848) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is 1-(furan-3-ylsulfonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(furan-3-ylsulfonyl)piperidine-3-carboxylic acid
PubChem CID120968848
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Name1-(furan-3-ylsulfonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)c2ccoc2)C1
InChIInChI=1S/C10H13NO5S/c12-10(13)8-2-1-4-11(6-8)17(14,15)9-3-5-16-7-9/h3,5,7-8H,1-2,4,6H2,(H,12,13)
InChIKeyQNKOBFLXZONFBL-UHFFFAOYSA-N
XLogP0.76
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 23607546
1-(4-phenylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 69368579
1-[4-(bromomethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 71649595
(3R)-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 42257645
(3R)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 40639359
1-[1-(furan-3-ylsulfonyl)piperidin-3-yl]triazole-4-carboxylic acid
CID 146092901
(3S)-1-[4-(cyanomethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 81120949
(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid
CID 104709718
1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 3463250
1-[3-(dimethylamino)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 120605790
(3R)-1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]sulfonyl]piperidine-3-carboxylic acid
CID 92863909
(3S)-1-(3-chloro-5-fluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 136580982

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylsulfonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(furan-3-ylsulfonyl)piperidine-3-carboxylic acid (CID 120968848) is 1-(furan-3-ylsulfonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(furan-3-ylsulfonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(furan-3-ylsulfonyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)c2ccoc2)C1.
What is the InChIKey of 1-(furan-3-ylsulfonyl)piperidine-3-carboxylic acid?
The InChIKey is QNKOBFLXZONFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c12-10(13)8-2-1-4-11(6-8)17(14,15)9-3-5-16-7-9/h3,5,7-8H,1-2,4,6H2,(H,12,13).
What are the key properties of 1-(furan-3-ylsulfonyl)piperidine-3-carboxylic acid?
1-(furan-3-ylsulfonyl)piperidine-3-carboxylic acid has a molecular weight of 259.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylsulfonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 120968848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).