1-methylsulfonylhex-5-en-2-ylhydrazine

C7H16N2O2S — CID 105311674

IUPAC1-methylsulfonylhex-5-en-2-ylhydrazine
SMILESC=CCCC(CS(C)(=O)=O)NN
InChIInChI=1S/C7H16N2O2S/c1-3-4-5-7(9-8)6-12(2,10)11/h3,7,9H,1,4-6,8H2,2H3
InChIKeyVVZXVWBQOHJYFL-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.17
Rot. Bonds6

About 1-methylsulfonylhex-5-en-2-ylhydrazine

1-methylsulfonylhex-5-en-2-ylhydrazine (PubChem CID 105311674) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-methylsulfonylhex-5-en-2-ylhydrazine.

Molecular Properties

Compound Name1-methylsulfonylhex-5-en-2-ylhydrazine
PubChem CID105311674
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name1-methylsulfonylhex-5-en-2-ylhydrazine
SMILESC=CCCC(CS(C)(=O)=O)NN
InChIInChI=1S/C7H16N2O2S/c1-3-4-5-7(9-8)6-12(2,10)11/h3,7,9H,1,4-6,8H2,2H3
InChIKeyVVZXVWBQOHJYFL-UHFFFAOYSA-N
XLogP-0.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.17
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 1-methylsulfonylhex-5-en-2-ylhydrazine?
The IUPAC name of 1-methylsulfonylhex-5-en-2-ylhydrazine (CID 105311674) is 1-methylsulfonylhex-5-en-2-ylhydrazine.
What is the SMILES notation for 1-methylsulfonylhex-5-en-2-ylhydrazine?
The canonical SMILES for 1-methylsulfonylhex-5-en-2-ylhydrazine is C=CCCC(CS(C)(=O)=O)NN.
What is the InChIKey of 1-methylsulfonylhex-5-en-2-ylhydrazine?
The InChIKey is VVZXVWBQOHJYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-3-4-5-7(9-8)6-12(2,10)11/h3,7,9H,1,4-6,8H2,2H3.
What are the key properties of 1-methylsulfonylhex-5-en-2-ylhydrazine?
1-methylsulfonylhex-5-en-2-ylhydrazine has a molecular weight of 192.28 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylhex-5-en-2-ylhydrazine is sourced from PubChem (CID 105311674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).