7-ethylsulfonylhept-1-en-4-ylhydrazine

C9H20N2O2S — CID 105269615

IUPAC7-ethylsulfonylhept-1-en-4-ylhydrazine
SMILESC=CCC(CCCS(=O)(=O)CC)NN
InChIInChI=1S/C9H20N2O2S/c1-3-6-9(11-10)7-5-8-14(12,13)4-2/h3,9,11H,1,4-8,10H2,2H3
InChIKeyXJNFLRWHWUGZMK-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.61
Rot. Bonds8

About 7-ethylsulfonylhept-1-en-4-ylhydrazine

7-ethylsulfonylhept-1-en-4-ylhydrazine (PubChem CID 105269615) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 7-ethylsulfonylhept-1-en-4-ylhydrazine.

Molecular Properties

Compound Name7-ethylsulfonylhept-1-en-4-ylhydrazine
PubChem CID105269615
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name7-ethylsulfonylhept-1-en-4-ylhydrazine
SMILESC=CCC(CCCS(=O)(=O)CC)NN
InChIInChI=1S/C9H20N2O2S/c1-3-6-9(11-10)7-5-8-14(12,13)4-2/h3,9,11H,1,4-8,10H2,2H3
InChIKeyXJNFLRWHWUGZMK-UHFFFAOYSA-N
XLogP0.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 7-ethylsulfonylhept-1-en-4-ylhydrazine?
The IUPAC name of 7-ethylsulfonylhept-1-en-4-ylhydrazine (CID 105269615) is 7-ethylsulfonylhept-1-en-4-ylhydrazine.
What is the SMILES notation for 7-ethylsulfonylhept-1-en-4-ylhydrazine?
The canonical SMILES for 7-ethylsulfonylhept-1-en-4-ylhydrazine is C=CCC(CCCS(=O)(=O)CC)NN.
What is the InChIKey of 7-ethylsulfonylhept-1-en-4-ylhydrazine?
The InChIKey is XJNFLRWHWUGZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-6-9(11-10)7-5-8-14(12,13)4-2/h3,9,11H,1,4-8,10H2,2H3.
What are the key properties of 7-ethylsulfonylhept-1-en-4-ylhydrazine?
7-ethylsulfonylhept-1-en-4-ylhydrazine has a molecular weight of 220.34 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfonylhept-1-en-4-ylhydrazine is sourced from PubChem (CID 105269615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).