1-methylsulfonylhept-6-en-2-ylhydrazine

C8H18N2O2S — CID 105311413

IUPAC1-methylsulfonylhept-6-en-2-ylhydrazine
SMILESC=CCCCC(CS(C)(=O)=O)NN
InChIInChI=1S/C8H18N2O2S/c1-3-4-5-6-8(10-9)7-13(2,11)12/h3,8,10H,1,4-7,9H2,2H3
InChIKeyRABQEPQAWWUOCN-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.22
Rot. Bonds7

About 1-methylsulfonylhept-6-en-2-ylhydrazine

1-methylsulfonylhept-6-en-2-ylhydrazine (PubChem CID 105311413) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-methylsulfonylhept-6-en-2-ylhydrazine.

Molecular Properties

Compound Name1-methylsulfonylhept-6-en-2-ylhydrazine
PubChem CID105311413
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name1-methylsulfonylhept-6-en-2-ylhydrazine
SMILESC=CCCCC(CS(C)(=O)=O)NN
InChIInChI=1S/C8H18N2O2S/c1-3-4-5-6-8(10-9)7-13(2,11)12/h3,8,10H,1,4-7,9H2,2H3
InChIKeyRABQEPQAWWUOCN-UHFFFAOYSA-N
XLogP0.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.22
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 1-methylsulfonylhept-6-en-2-ylhydrazine?
The IUPAC name of 1-methylsulfonylhept-6-en-2-ylhydrazine (CID 105311413) is 1-methylsulfonylhept-6-en-2-ylhydrazine.
What is the SMILES notation for 1-methylsulfonylhept-6-en-2-ylhydrazine?
The canonical SMILES for 1-methylsulfonylhept-6-en-2-ylhydrazine is C=CCCCC(CS(C)(=O)=O)NN.
What is the InChIKey of 1-methylsulfonylhept-6-en-2-ylhydrazine?
The InChIKey is RABQEPQAWWUOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-3-4-5-6-8(10-9)7-13(2,11)12/h3,8,10H,1,4-7,9H2,2H3.
What are the key properties of 1-methylsulfonylhept-6-en-2-ylhydrazine?
1-methylsulfonylhept-6-en-2-ylhydrazine has a molecular weight of 206.31 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylhept-6-en-2-ylhydrazine is sourced from PubChem (CID 105311413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).