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

C12H21N3O4S — CID 91907781

IUPAC4-(2-methoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine
SMILESCOCCOC1CCN(S(=O)(=O)c2cn(C)cn2)CC1
InChIInChI=1S/C12H21N3O4S/c1-14-9-12(13-10-14)20(16,17)15-5-3-11(4-6-15)19-8-7-18-2/h9-11H,3-8H2,1-2H3
InChIKeyKRTVZQBAURQCDS-UHFFFAOYSA-N
MW303.38 g/mol
LogP0.24
Rot. Bonds6

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

4-(2-methoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine (PubChem CID 91907781) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine
PubChem CID91907781
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name4-(2-methoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine
SMILESCOCCOC1CCN(S(=O)(=O)c2cn(C)cn2)CC1
InChIInChI=1S/C12H21N3O4S/c1-14-9-12(13-10-14)20(16,17)15-5-3-11(4-6-15)19-8-7-18-2/h9-11H,3-8H2,1-2H3
InChIKeyKRTVZQBAURQCDS-UHFFFAOYSA-N
XLogP0.24
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 50.24
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-methoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine?
The IUPAC name of 4-(2-methoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine (CID 91907781) is 4-(2-methoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 4-(2-methoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 4-(2-methoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine is COCCOC1CCN(S(=O)(=O)c2cn(C)cn2)CC1.
What is the InChIKey of 4-(2-methoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine?
The InChIKey is KRTVZQBAURQCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-14-9-12(13-10-14)20(16,17)15-5-3-11(4-6-15)19-8-7-18-2/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-(2-methoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine?
4-(2-methoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine has a molecular weight of 303.38 g/mol, XLogP of 0.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 91907781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).