[5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrimidin-2-yl]hydrazine

C11H20N6O2S — CID 63621762

IUPAC[5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrimidin-2-yl]hydrazine
SMILESCCC1CN(S(=O)(=O)c2cnc(NN)nc2)CCN1C
InChIInChI=1S/C11H20N6O2S/c1-3-9-8-17(5-4-16(9)2)20(18,19)10-6-13-11(15-12)14-7-10/h6-7,9H,3-5,8,12H2,1-2H3,(H,13,14,15)
InChIKeyUVMFCMLKRKSLRD-UHFFFAOYSA-N
MW300.39 g/mol
LogP-0.52
Rot. Bonds4

About [5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrimidin-2-yl]hydrazine

[5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrimidin-2-yl]hydrazine (PubChem CID 63621762) has the molecular formula C11H20N6O2S and a molecular weight of 300.39 g/mol. Its IUPAC name is [5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrimidin-2-yl]hydrazine
PubChem CID63621762
Molecular FormulaC11H20N6O2S
Molecular Weight300.39 g/mol
Exact Mass300.14
IUPAC Name[5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrimidin-2-yl]hydrazine
SMILESCCC1CN(S(=O)(=O)c2cnc(NN)nc2)CCN1C
InChIInChI=1S/C11H20N6O2S/c1-3-9-8-17(5-4-16(9)2)20(18,19)10-6-13-11(15-12)14-7-10/h6-7,9H,3-5,8,12H2,1-2H3,(H,13,14,15)
InChIKeyUVMFCMLKRKSLRD-UHFFFAOYSA-N
XLogP-0.52
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 5-0.52
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-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrimidin-2-yl]hydrazine?
The IUPAC name of [5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrimidin-2-yl]hydrazine (CID 63621762) is [5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrimidin-2-yl]hydrazine is CCC1CN(S(=O)(=O)c2cnc(NN)nc2)CCN1C.
What is the InChIKey of [5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrimidin-2-yl]hydrazine?
The InChIKey is UVMFCMLKRKSLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2S/c1-3-9-8-17(5-4-16(9)2)20(18,19)10-6-13-11(15-12)14-7-10/h6-7,9H,3-5,8,12H2,1-2H3,(H,13,14,15).
What are the key properties of [5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrimidin-2-yl]hydrazine?
[5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrimidin-2-yl]hydrazine has a molecular weight of 300.39 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 63621762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).