1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylic acid

C11H16N2O5S — CID 6486599

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylic acid
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H16N2O5S/c1-7-10(8(2)18-12-7)19(16,17)13-5-3-9(4-6-13)11(14)15/h9H,3-6H2,1-2H3,(H,14,15)
InChIKeyKSOBUALYXXFMAH-UHFFFAOYSA-N
MW288.32 g/mol
LogP0.78
Rot. Bonds3

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylic acid

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylic acid (PubChem CID 6486599) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylic acid
PubChem CID6486599
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylic acid
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H16N2O5S/c1-7-10(8(2)18-12-7)19(16,17)13-5-3-9(4-6-13)11(14)15/h9H,3-6H2,1-2H3,(H,14,15)
InChIKeyKSOBUALYXXFMAH-UHFFFAOYSA-N
XLogP0.78
TPSA100.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylic acid (CID 6486599) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylic acid is Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylic acid?
The InChIKey is KSOBUALYXXFMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-7-10(8(2)18-12-7)19(16,17)13-5-3-9(4-6-13)11(14)15/h9H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylic acid?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylic acid has a molecular weight of 288.32 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 6486599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).