N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-sulfonamide

C11H20N4O4S — CID 122560921

IUPACN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-sulfonamide
SMILESCOCCc1noc(CNS(=O)(=O)N2CCCCC2)n1
InChIInChI=1S/C11H20N4O4S/c1-18-8-5-10-13-11(19-14-10)9-12-20(16,17)15-6-3-2-4-7-15/h12H,2-9H2,1H3
InChIKeyVPBIGZLMYKGGKK-UHFFFAOYSA-N
MW304.37 g/mol
LogP0.08
Rot. Bonds7

About N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-sulfonamide

N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-sulfonamide (PubChem CID 122560921) has the molecular formula C11H20N4O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-sulfonamide
PubChem CID122560921
Molecular FormulaC11H20N4O4S
Molecular Weight304.37 g/mol
Exact Mass304.12
IUPAC NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-sulfonamide
SMILESCOCCc1noc(CNS(=O)(=O)N2CCCCC2)n1
InChIInChI=1S/C11H20N4O4S/c1-18-8-5-10-13-11(19-14-10)9-12-20(16,17)15-6-3-2-4-7-15/h12H,2-9H2,1H3
InChIKeyVPBIGZLMYKGGKK-UHFFFAOYSA-N
XLogP0.08
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-sulfonamide?
The IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-sulfonamide (CID 122560921) is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-sulfonamide is COCCc1noc(CNS(=O)(=O)N2CCCCC2)n1.
What is the InChIKey of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-sulfonamide?
The InChIKey is VPBIGZLMYKGGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S/c1-18-8-5-10-13-11(19-14-10)9-12-20(16,17)15-6-3-2-4-7-15/h12H,2-9H2,1H3.
What are the key properties of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-sulfonamide?
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-sulfonamide has a molecular weight of 304.37 g/mol, XLogP of 0.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 122560921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).