1-ethylsulfonylheptan-4-ylhydrazine

C9H22N2O2S — CID 105202054

IUPAC1-ethylsulfonylheptan-4-ylhydrazine
SMILESCCCC(CCCS(=O)(=O)CC)NN
InChIInChI=1S/C9H22N2O2S/c1-3-6-9(11-10)7-5-8-14(12,13)4-2/h9,11H,3-8,10H2,1-2H3
InChIKeySAARLFQUVKZPLO-UHFFFAOYSA-N
MW222.35 g/mol
LogP0.83
Rot. Bonds8

About 1-ethylsulfonylheptan-4-ylhydrazine

1-ethylsulfonylheptan-4-ylhydrazine (PubChem CID 105202054) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is 1-ethylsulfonylheptan-4-ylhydrazine.

Molecular Properties

Compound Name1-ethylsulfonylheptan-4-ylhydrazine
PubChem CID105202054
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC Name1-ethylsulfonylheptan-4-ylhydrazine
SMILESCCCC(CCCS(=O)(=O)CC)NN
InChIInChI=1S/C9H22N2O2S/c1-3-6-9(11-10)7-5-8-14(12,13)4-2/h9,11H,3-8,10H2,1-2H3
InChIKeySAARLFQUVKZPLO-UHFFFAOYSA-N
XLogP0.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-ethylsulfonylheptan-4-ylhydrazine?
The IUPAC name of 1-ethylsulfonylheptan-4-ylhydrazine (CID 105202054) is 1-ethylsulfonylheptan-4-ylhydrazine.
What is the SMILES notation for 1-ethylsulfonylheptan-4-ylhydrazine?
The canonical SMILES for 1-ethylsulfonylheptan-4-ylhydrazine is CCCC(CCCS(=O)(=O)CC)NN.
What is the InChIKey of 1-ethylsulfonylheptan-4-ylhydrazine?
The InChIKey is SAARLFQUVKZPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-3-6-9(11-10)7-5-8-14(12,13)4-2/h9,11H,3-8,10H2,1-2H3.
What are the key properties of 1-ethylsulfonylheptan-4-ylhydrazine?
1-ethylsulfonylheptan-4-ylhydrazine has a molecular weight of 222.35 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonylheptan-4-ylhydrazine is sourced from PubChem (CID 105202054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).