5-(2-oxo-2-piperidin-1-ylethyl)sulfinylfuran-2-carboxylic acid

C12H15NO5S — CID 63944401

IUPAC5-(2-oxo-2-piperidin-1-ylethyl)sulfinylfuran-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)CC(=O)N2CCCCC2)o1
InChIInChI=1S/C12H15NO5S/c14-10(13-6-2-1-3-7-13)8-19(17)11-5-4-9(18-11)12(15)16/h4-5H,1-3,6-8H2,(H,15,16)
InChIKeyLTMMMFKQRWIQGB-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.10
Rot. Bonds4

About 5-(2-oxo-2-piperidin-1-ylethyl)sulfinylfuran-2-carboxylic acid

5-(2-oxo-2-piperidin-1-ylethyl)sulfinylfuran-2-carboxylic acid (PubChem CID 63944401) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-(2-oxo-2-piperidin-1-ylethyl)sulfinylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-oxo-2-piperidin-1-ylethyl)sulfinylfuran-2-carboxylic acid
PubChem CID63944401
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name5-(2-oxo-2-piperidin-1-ylethyl)sulfinylfuran-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)CC(=O)N2CCCCC2)o1
InChIInChI=1S/C12H15NO5S/c14-10(13-6-2-1-3-7-13)8-19(17)11-5-4-9(18-11)12(15)16/h4-5H,1-3,6-8H2,(H,15,16)
InChIKeyLTMMMFKQRWIQGB-UHFFFAOYSA-N
XLogP1.10
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(azocan-1-yl)-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63942950
5-[2-(oxan-4-ylamino)-2-oxoethyl]sulfinylfuran-2-carboxylic acid
CID 63945370
5-[(4-iodophenyl)methylsulfinyl]furan-2-carboxylic acid
CID 65477316
1-(azepan-1-yl)-2-(2-fluorophenyl)sulfinylethanone
CID 63793169
4-bromo-2-(2-oxo-2-piperidin-1-ylethyl)sulfinylbenzoic acid
CID 115382458
4-fluoro-3-(2-oxo-2-piperidin-1-ylethyl)sulfinylbenzoic acid
CID 80549334
2-(3-amino-2-methylphenyl)sulfinyl-1-pyrrolidin-1-ylethanone
CID 81191386
2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfinylphenyl]acetic acid
CID 64928981
5-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carboxylic acid
CID 63317125
5-(2-methylpentylsulfinyl)furan-2-carboxylic acid
CID 63946985
5-(2-piperidin-1-ylethylsulfinylmethyl)furan-2-carboxylic acid
CID 123120833
4-[2-(azocan-1-yl)-2-oxoethyl]sulfanylbenzoic acid
CID 43242305

Frequently Asked Questions

What is the IUPAC name of 5-(2-oxo-2-piperidin-1-ylethyl)sulfinylfuran-2-carboxylic acid?
The IUPAC name of 5-(2-oxo-2-piperidin-1-ylethyl)sulfinylfuran-2-carboxylic acid (CID 63944401) is 5-(2-oxo-2-piperidin-1-ylethyl)sulfinylfuran-2-carboxylic acid.
What is the SMILES notation for 5-(2-oxo-2-piperidin-1-ylethyl)sulfinylfuran-2-carboxylic acid?
The canonical SMILES for 5-(2-oxo-2-piperidin-1-ylethyl)sulfinylfuran-2-carboxylic acid is O=C(O)c1ccc(S(=O)CC(=O)N2CCCCC2)o1.
What is the InChIKey of 5-(2-oxo-2-piperidin-1-ylethyl)sulfinylfuran-2-carboxylic acid?
The InChIKey is LTMMMFKQRWIQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c14-10(13-6-2-1-3-7-13)8-19(17)11-5-4-9(18-11)12(15)16/h4-5H,1-3,6-8H2,(H,15,16).
What are the key properties of 5-(2-oxo-2-piperidin-1-ylethyl)sulfinylfuran-2-carboxylic acid?
5-(2-oxo-2-piperidin-1-ylethyl)sulfinylfuran-2-carboxylic acid has a molecular weight of 285.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxo-2-piperidin-1-ylethyl)sulfinylfuran-2-carboxylic acid is sourced from PubChem (CID 63944401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).