4-(2-methoxyethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine

C14H25N3O4S — CID 91918299

IUPAC4-(2-methoxyethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
SMILESCOCCOC1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1
InChIInChI=1S/C14H25N3O4S/c1-11-14(12(2)16(3)15-11)22(18,19)17-7-5-13(6-8-17)21-10-9-20-4/h13H,5-10H2,1-4H3
InChIKeyRXMIKDMELQGNLX-UHFFFAOYSA-N
MW331.44 g/mol
LogP0.85
Rot. Bonds6

About 4-(2-methoxyethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine

4-(2-methoxyethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine (PubChem CID 91918299) has the molecular formula C14H25N3O4S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
PubChem CID91918299
Molecular FormulaC14H25N3O4S
Molecular Weight331.44 g/mol
Exact Mass331.16
IUPAC Name4-(2-methoxyethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
SMILESCOCCOC1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1
InChIInChI=1S/C14H25N3O4S/c1-11-14(12(2)16(3)15-11)22(18,19)17-7-5-13(6-8-17)21-10-9-20-4/h13H,5-10H2,1-4H3
InChIKeyRXMIKDMELQGNLX-UHFFFAOYSA-N
XLogP0.85
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 50.85
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-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
The IUPAC name of 4-(2-methoxyethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine (CID 91918299) is 4-(2-methoxyethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 4-(2-methoxyethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 4-(2-methoxyethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine is COCCOC1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1.
What is the InChIKey of 4-(2-methoxyethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
The InChIKey is RXMIKDMELQGNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4S/c1-11-14(12(2)16(3)15-11)22(18,19)17-7-5-13(6-8-17)21-10-9-20-4/h13H,5-10H2,1-4H3.
What are the key properties of 4-(2-methoxyethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
4-(2-methoxyethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine has a molecular weight of 331.44 g/mol, XLogP of 0.85, 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-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 91918299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).