1-methylsulfonylpent-4-en-2-ylhydrazine

C6H14N2O2S — CID 105289696

IUPAC1-methylsulfonylpent-4-en-2-ylhydrazine
SMILESC=CCC(CS(C)(=O)=O)NN
InChIInChI=1S/C6H14N2O2S/c1-3-4-6(8-7)5-11(2,9)10/h3,6,8H,1,4-5,7H2,2H3
InChIKeyVSGZWTLWRLKKGS-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.56
Rot. Bonds5

About 1-methylsulfonylpent-4-en-2-ylhydrazine

1-methylsulfonylpent-4-en-2-ylhydrazine (PubChem CID 105289696) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 1-methylsulfonylpent-4-en-2-ylhydrazine.

Molecular Properties

Compound Name1-methylsulfonylpent-4-en-2-ylhydrazine
PubChem CID105289696
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name1-methylsulfonylpent-4-en-2-ylhydrazine
SMILESC=CCC(CS(C)(=O)=O)NN
InChIInChI=1S/C6H14N2O2S/c1-3-4-6(8-7)5-11(2,9)10/h3,6,8H,1,4-5,7H2,2H3
InChIKeyVSGZWTLWRLKKGS-UHFFFAOYSA-N
XLogP-0.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.56
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-methylsulfonylpent-4-en-2-ylhydrazine?
The IUPAC name of 1-methylsulfonylpent-4-en-2-ylhydrazine (CID 105289696) is 1-methylsulfonylpent-4-en-2-ylhydrazine.
What is the SMILES notation for 1-methylsulfonylpent-4-en-2-ylhydrazine?
The canonical SMILES for 1-methylsulfonylpent-4-en-2-ylhydrazine is C=CCC(CS(C)(=O)=O)NN.
What is the InChIKey of 1-methylsulfonylpent-4-en-2-ylhydrazine?
The InChIKey is VSGZWTLWRLKKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-3-4-6(8-7)5-11(2,9)10/h3,6,8H,1,4-5,7H2,2H3.
What are the key properties of 1-methylsulfonylpent-4-en-2-ylhydrazine?
1-methylsulfonylpent-4-en-2-ylhydrazine has a molecular weight of 178.26 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylpent-4-en-2-ylhydrazine is sourced from PubChem (CID 105289696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).