1-[1-(2-hydrazinylpyrimidin-5-yl)sulfonylpiperidin-4-yl]ethanol

C11H19N5O3S — CID 106836372

IUPAC1-[1-(2-hydrazinylpyrimidin-5-yl)sulfonylpiperidin-4-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)c2cnc(NN)nc2)CC1
InChIInChI=1S/C11H19N5O3S/c1-8(17)9-2-4-16(5-3-9)20(18,19)10-6-13-11(15-12)14-7-10/h6-9,17H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyDGLYVURSPYNPLO-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.46
Rot. Bonds4

About 1-[1-(2-hydrazinylpyrimidin-5-yl)sulfonylpiperidin-4-yl]ethanol

1-[1-(2-hydrazinylpyrimidin-5-yl)sulfonylpiperidin-4-yl]ethanol (PubChem CID 106836372) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-[1-(2-hydrazinylpyrimidin-5-yl)sulfonylpiperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-hydrazinylpyrimidin-5-yl)sulfonylpiperidin-4-yl]ethanol
PubChem CID106836372
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC Name1-[1-(2-hydrazinylpyrimidin-5-yl)sulfonylpiperidin-4-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)c2cnc(NN)nc2)CC1
InChIInChI=1S/C11H19N5O3S/c1-8(17)9-2-4-16(5-3-9)20(18,19)10-6-13-11(15-12)14-7-10/h6-9,17H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyDGLYVURSPYNPLO-UHFFFAOYSA-N
XLogP-0.46
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[1-(2-hydrazinylpyrimidin-5-yl)sulfonylpiperidin-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydrazinylpyrimidin-5-yl)sulfonylpiperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(2-hydrazinylpyrimidin-5-yl)sulfonylpiperidin-4-yl]ethanol (CID 106836372) is 1-[1-(2-hydrazinylpyrimidin-5-yl)sulfonylpiperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(2-hydrazinylpyrimidin-5-yl)sulfonylpiperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(2-hydrazinylpyrimidin-5-yl)sulfonylpiperidin-4-yl]ethanol is CC(O)C1CCN(S(=O)(=O)c2cnc(NN)nc2)CC1.
What is the InChIKey of 1-[1-(2-hydrazinylpyrimidin-5-yl)sulfonylpiperidin-4-yl]ethanol?
The InChIKey is DGLYVURSPYNPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-8(17)9-2-4-16(5-3-9)20(18,19)10-6-13-11(15-12)14-7-10/h6-9,17H,2-5,12H2,1H3,(H,13,14,15).
What are the key properties of 1-[1-(2-hydrazinylpyrimidin-5-yl)sulfonylpiperidin-4-yl]ethanol?
1-[1-(2-hydrazinylpyrimidin-5-yl)sulfonylpiperidin-4-yl]ethanol has a molecular weight of 301.37 g/mol, XLogP of -0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydrazinylpyrimidin-5-yl)sulfonylpiperidin-4-yl]ethanol is sourced from PubChem (CID 106836372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).