4-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]oxolane-3-carboxylic acid

C13H24N2O5S — CID 66245064

IUPAC4-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]oxolane-3-carboxylic acid
SMILESCCN(C1COCC1C(=O)O)S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C13H24N2O5S/c1-3-15(12-9-20-8-11(12)13(16)17)21(18,19)14-6-4-5-10(2)7-14/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyFINCRXSRMGCQIX-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.38
Rot. Bonds5

About 4-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]oxolane-3-carboxylic acid

4-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]oxolane-3-carboxylic acid (PubChem CID 66245064) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]oxolane-3-carboxylic acid
PubChem CID66245064
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name4-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]oxolane-3-carboxylic acid
SMILESCCN(C1COCC1C(=O)O)S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C13H24N2O5S/c1-3-15(12-9-20-8-11(12)13(16)17)21(18,19)14-6-4-5-10(2)7-14/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyFINCRXSRMGCQIX-UHFFFAOYSA-N
XLogP0.38
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]oxolane-3-carboxylic acid (CID 66245064) is 4-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]oxolane-3-carboxylic acid is CCN(C1COCC1C(=O)O)S(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of 4-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]oxolane-3-carboxylic acid?
The InChIKey is FINCRXSRMGCQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-3-15(12-9-20-8-11(12)13(16)17)21(18,19)14-6-4-5-10(2)7-14/h10-12H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 4-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]oxolane-3-carboxylic acid?
4-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]oxolane-3-carboxylic acid has a molecular weight of 320.41 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66245064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).