2-methylsulfonyloct-7-en-3-ylhydrazine

C9H20N2O2S — CID 105311324

IUPAC2-methylsulfonyloct-7-en-3-ylhydrazine
SMILESC=CCCCC(NN)C(C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O2S/c1-4-5-6-7-9(11-10)8(2)14(3,12)13/h4,8-9,11H,1,5-7,10H2,2-3H3
InChIKeyZTMSJGZWFWBXSX-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.61
Rot. Bonds7

About 2-methylsulfonyloct-7-en-3-ylhydrazine

2-methylsulfonyloct-7-en-3-ylhydrazine (PubChem CID 105311324) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-methylsulfonyloct-7-en-3-ylhydrazine.

Molecular Properties

Compound Name2-methylsulfonyloct-7-en-3-ylhydrazine
PubChem CID105311324
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name2-methylsulfonyloct-7-en-3-ylhydrazine
SMILESC=CCCCC(NN)C(C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O2S/c1-4-5-6-7-9(11-10)8(2)14(3,12)13/h4,8-9,11H,1,5-7,10H2,2-3H3
InChIKeyZTMSJGZWFWBXSX-UHFFFAOYSA-N
XLogP0.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-methylsulfonyloct-7-en-3-ylhydrazine?
The IUPAC name of 2-methylsulfonyloct-7-en-3-ylhydrazine (CID 105311324) is 2-methylsulfonyloct-7-en-3-ylhydrazine.
What is the SMILES notation for 2-methylsulfonyloct-7-en-3-ylhydrazine?
The canonical SMILES for 2-methylsulfonyloct-7-en-3-ylhydrazine is C=CCCCC(NN)C(C)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyloct-7-en-3-ylhydrazine?
The InChIKey is ZTMSJGZWFWBXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-4-5-6-7-9(11-10)8(2)14(3,12)13/h4,8-9,11H,1,5-7,10H2,2-3H3.
What are the key properties of 2-methylsulfonyloct-7-en-3-ylhydrazine?
2-methylsulfonyloct-7-en-3-ylhydrazine has a molecular weight of 220.34 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyloct-7-en-3-ylhydrazine is sourced from PubChem (CID 105311324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).