4-methylsulfonylpent-1-en-3-ylhydrazine

C6H14N2O2S — CID 105318037

IUPAC4-methylsulfonylpent-1-en-3-ylhydrazine
SMILESC=CC(NN)C(C)S(C)(=O)=O
InChIInChI=1S/C6H14N2O2S/c1-4-6(8-7)5(2)11(3,9)10/h4-6,8H,1,7H2,2-3H3
InChIKeyJDXIAEJDFCFDAW-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.56
Rot. Bonds4

About 4-methylsulfonylpent-1-en-3-ylhydrazine

4-methylsulfonylpent-1-en-3-ylhydrazine (PubChem CID 105318037) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 4-methylsulfonylpent-1-en-3-ylhydrazine.

Molecular Properties

Compound Name4-methylsulfonylpent-1-en-3-ylhydrazine
PubChem CID105318037
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name4-methylsulfonylpent-1-en-3-ylhydrazine
SMILESC=CC(NN)C(C)S(C)(=O)=O
InChIInChI=1S/C6H14N2O2S/c1-4-6(8-7)5(2)11(3,9)10/h4-6,8H,1,7H2,2-3H3
InChIKeyJDXIAEJDFCFDAW-UHFFFAOYSA-N
XLogP-0.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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 4-methylsulfonylpent-1-en-3-ylhydrazine?
The IUPAC name of 4-methylsulfonylpent-1-en-3-ylhydrazine (CID 105318037) is 4-methylsulfonylpent-1-en-3-ylhydrazine.
What is the SMILES notation for 4-methylsulfonylpent-1-en-3-ylhydrazine?
The canonical SMILES for 4-methylsulfonylpent-1-en-3-ylhydrazine is C=CC(NN)C(C)S(C)(=O)=O.
What is the InChIKey of 4-methylsulfonylpent-1-en-3-ylhydrazine?
The InChIKey is JDXIAEJDFCFDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-4-6(8-7)5(2)11(3,9)10/h4-6,8H,1,7H2,2-3H3.
What are the key properties of 4-methylsulfonylpent-1-en-3-ylhydrazine?
4-methylsulfonylpent-1-en-3-ylhydrazine has a molecular weight of 178.26 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonylpent-1-en-3-ylhydrazine is sourced from PubChem (CID 105318037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).