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

C14H25N3O4S — CID 91907801

IUPAC4-(2-ethoxyethoxy)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine
SMILESCCOCCOC1CCN(S(=O)(=O)c2cnn(CC)c2)CC1
InChIInChI=1S/C14H25N3O4S/c1-3-16-12-14(11-15-16)22(18,19)17-7-5-13(6-8-17)21-10-9-20-4-2/h11-13H,3-10H2,1-2H3
InChIKeyMCCMIWINDIMFHC-UHFFFAOYSA-N
MW331.44 g/mol
LogP1.11
Rot. Bonds8

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

4-(2-ethoxyethoxy)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine (PubChem CID 91907801) has the molecular formula C14H25N3O4S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine
PubChem CID91907801
Molecular FormulaC14H25N3O4S
Molecular Weight331.44 g/mol
Exact Mass331.16
IUPAC Name4-(2-ethoxyethoxy)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine
SMILESCCOCCOC1CCN(S(=O)(=O)c2cnn(CC)c2)CC1
InChIInChI=1S/C14H25N3O4S/c1-3-16-12-14(11-15-16)22(18,19)17-7-5-13(6-8-17)21-10-9-20-4-2/h11-13H,3-10H2,1-2H3
InChIKeyMCCMIWINDIMFHC-UHFFFAOYSA-N
XLogP1.11
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.11
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-ethylpyrazol-4-yl)sulfonylpiperidine?
The IUPAC name of 4-(2-ethoxyethoxy)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine (CID 91907801) is 4-(2-ethoxyethoxy)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 4-(2-ethoxyethoxy)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 4-(2-ethoxyethoxy)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine is CCOCCOC1CCN(S(=O)(=O)c2cnn(CC)c2)CC1.
What is the InChIKey of 4-(2-ethoxyethoxy)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine?
The InChIKey is MCCMIWINDIMFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4S/c1-3-16-12-14(11-15-16)22(18,19)17-7-5-13(6-8-17)21-10-9-20-4-2/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-(2-ethoxyethoxy)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine?
4-(2-ethoxyethoxy)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine has a molecular weight of 331.44 g/mol, XLogP of 1.11, 8 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-ethylpyrazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 91907801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).