4-(2-ethoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine

C13H23N3O4S — CID 91907796

IUPAC4-(2-ethoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine
SMILESCCOCCOC1CCN(S(=O)(=O)c2cn(C)cn2)CC1
InChIInChI=1S/C13H23N3O4S/c1-3-19-8-9-20-12-4-6-16(7-5-12)21(17,18)13-10-15(2)11-14-13/h10-12H,3-9H2,1-2H3
InChIKeyDSSVUBJHCIPEEI-UHFFFAOYSA-N
MW317.41 g/mol
LogP0.63
Rot. Bonds7

About 4-(2-ethoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine

4-(2-ethoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine (PubChem CID 91907796) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine
PubChem CID91907796
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC Name4-(2-ethoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine
SMILESCCOCCOC1CCN(S(=O)(=O)c2cn(C)cn2)CC1
InChIInChI=1S/C13H23N3O4S/c1-3-19-8-9-20-12-4-6-16(7-5-12)21(17,18)13-10-15(2)11-14-13/h10-12H,3-9H2,1-2H3
InChIKeyDSSVUBJHCIPEEI-UHFFFAOYSA-N
XLogP0.63
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine?
The IUPAC name of 4-(2-ethoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine (CID 91907796) is 4-(2-ethoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 4-(2-ethoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 4-(2-ethoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine is CCOCCOC1CCN(S(=O)(=O)c2cn(C)cn2)CC1.
What is the InChIKey of 4-(2-ethoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine?
The InChIKey is DSSVUBJHCIPEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-3-19-8-9-20-12-4-6-16(7-5-12)21(17,18)13-10-15(2)11-14-13/h10-12H,3-9H2,1-2H3.
What are the key properties of 4-(2-ethoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine?
4-(2-ethoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine has a molecular weight of 317.41 g/mol, XLogP of 0.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 91907796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).