5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid

C11H15NO5S — CID 43149837

IUPAC5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid
SMILESCC1CCCN(S(=O)(=O)c2ccc(C(=O)O)o2)C1
InChIInChI=1S/C11H15NO5S/c1-8-3-2-6-12(7-8)18(15,16)10-5-4-9(17-10)11(13)14/h4-5,8H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyDAPXVFRMGFSNSN-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.40
Rot. Bonds3

About 5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid

5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid (PubChem CID 43149837) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid
PubChem CID43149837
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid
SMILESCC1CCCN(S(=O)(=O)c2ccc(C(=O)O)o2)C1
InChIInChI=1S/C11H15NO5S/c1-8-3-2-6-12(7-8)18(15,16)10-5-4-9(17-10)11(13)14/h4-5,8H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyDAPXVFRMGFSNSN-UHFFFAOYSA-N
XLogP1.40
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3S)-3-hydroxypiperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 93086341
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 93025181
5-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 119184796
5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 54882569
5-[2-(3-methylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 119184800
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974
4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
5-[4-(2,5-dimethylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 120552103
5-(4-acetylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid
CID 29077415
5-(4-hydroxy-4-methylazepan-1-yl)sulfonylfuran-2-carboxylic acid
CID 107404061
2-cyclobutyl-5-[5-[(3S)-3-methylpiperidin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 95103469
4-chloro-2-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 22748532

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid?
The IUPAC name of 5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid (CID 43149837) is 5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid.
What is the SMILES notation for 5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid?
The canonical SMILES for 5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid is CC1CCCN(S(=O)(=O)c2ccc(C(=O)O)o2)C1.
What is the InChIKey of 5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid?
The InChIKey is DAPXVFRMGFSNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-8-3-2-6-12(7-8)18(15,16)10-5-4-9(17-10)11(13)14/h4-5,8H,2-3,6-7H2,1H3,(H,13,14).
What are the key properties of 5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid?
5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid is sourced from PubChem (CID 43149837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).