5-[4-(1,4-oxazepane-4-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid

C16H22N2O7S — CID 119182628

IUPAC5-[4-(1,4-oxazepane-4-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCOCC3)CC2)o1
InChIInChI=1S/C16H22N2O7S/c19-15(17-6-1-10-24-11-9-17)12-4-7-18(8-5-12)26(22,23)14-3-2-13(25-14)16(20)21/h2-3,12H,1,4-11H2,(H,20,21)
InChIKeyGQCBEOJKUAEMLF-UHFFFAOYSA-N
MW386.43 g/mol
LogP0.63
Rot. Bonds4

About 5-[4-(1,4-oxazepane-4-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid

5-[4-(1,4-oxazepane-4-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid (PubChem CID 119182628) has the molecular formula C16H22N2O7S and a molecular weight of 386.43 g/mol. Its IUPAC name is 5-[4-(1,4-oxazepane-4-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(1,4-oxazepane-4-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
PubChem CID119182628
Molecular FormulaC16H22N2O7S
Molecular Weight386.43 g/mol
Exact Mass386.11
IUPAC Name5-[4-(1,4-oxazepane-4-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCOCC3)CC2)o1
InChIInChI=1S/C16H22N2O7S/c19-15(17-6-1-10-24-11-9-17)12-4-7-18(8-5-12)26(22,23)14-3-2-13(25-14)16(20)21/h2-3,12H,1,4-11H2,(H,20,21)
InChIKeyGQCBEOJKUAEMLF-UHFFFAOYSA-N
XLogP0.63
TPSA117.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-(1,4-oxazepane-4-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 119184796
5-[4-(2,5-dimethylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 120552103
(4-methylpiperidin-1-yl)-[1-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone
CID 55950973
[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
CID 39633013
5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 43149837
5-(4-acetylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid
CID 29077415
4-(1,4-oxazepane-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63783007
[1-[(4-bromophenyl)methylsulfonyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 30389996
5-[(3R)-3-methylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 106773973
5-[(3S)-3-hydroxypiperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 93086341
(1-cyclopentylsulfonylpiperidin-4-yl)-morpholin-4-ylmethanone
CID 110619013
[1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
CID 16828632

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,4-oxazepane-4-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid?
The IUPAC name of 5-[4-(1,4-oxazepane-4-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid (CID 119182628) is 5-[4-(1,4-oxazepane-4-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[4-(1,4-oxazepane-4-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid?
The canonical SMILES for 5-[4-(1,4-oxazepane-4-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCOCC3)CC2)o1.
What is the InChIKey of 5-[4-(1,4-oxazepane-4-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid?
The InChIKey is GQCBEOJKUAEMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O7S/c19-15(17-6-1-10-24-11-9-17)12-4-7-18(8-5-12)26(22,23)14-3-2-13(25-14)16(20)21/h2-3,12H,1,4-11H2,(H,20,21).
What are the key properties of 5-[4-(1,4-oxazepane-4-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid?
5-[4-(1,4-oxazepane-4-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid has a molecular weight of 386.43 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,4-oxazepane-4-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid is sourced from PubChem (CID 119182628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).