[5-(4-ethoxypiperidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine

C11H19N5O3S — CID 61329704

IUPAC[5-(4-ethoxypiperidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine
SMILESCCOC1CCN(S(=O)(=O)c2cnc(NN)nc2)CC1
InChIInChI=1S/C11H19N5O3S/c1-2-19-9-3-5-16(6-4-9)20(17,18)10-7-13-11(15-12)14-8-10/h7-9H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyPHERYQXMPJBAGD-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.05
Rot. Bonds5

About [5-(4-ethoxypiperidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine

[5-(4-ethoxypiperidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine (PubChem CID 61329704) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is [5-(4-ethoxypiperidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-(4-ethoxypiperidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine
PubChem CID61329704
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC Name[5-(4-ethoxypiperidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine
SMILESCCOC1CCN(S(=O)(=O)c2cnc(NN)nc2)CC1
InChIInChI=1S/C11H19N5O3S/c1-2-19-9-3-5-16(6-4-9)20(17,18)10-7-13-11(15-12)14-8-10/h7-9H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyPHERYQXMPJBAGD-UHFFFAOYSA-N
XLogP-0.05
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(4-ethoxypiperidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine?
The IUPAC name of [5-(4-ethoxypiperidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine (CID 61329704) is [5-(4-ethoxypiperidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-(4-ethoxypiperidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-(4-ethoxypiperidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine is CCOC1CCN(S(=O)(=O)c2cnc(NN)nc2)CC1.
What is the InChIKey of [5-(4-ethoxypiperidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine?
The InChIKey is PHERYQXMPJBAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-2-19-9-3-5-16(6-4-9)20(17,18)10-7-13-11(15-12)14-8-10/h7-9H,2-6,12H2,1H3,(H,13,14,15).
What are the key properties of [5-(4-ethoxypiperidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine?
[5-(4-ethoxypiperidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine has a molecular weight of 301.37 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethoxypiperidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 61329704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).