2-methylsulfonylhex-5-en-3-ylhydrazine

C7H16N2O2S — CID 105289621

IUPAC2-methylsulfonylhex-5-en-3-ylhydrazine
SMILESC=CCC(NN)C(C)S(C)(=O)=O
InChIInChI=1S/C7H16N2O2S/c1-4-5-7(9-8)6(2)12(3,10)11/h4,6-7,9H,1,5,8H2,2-3H3
InChIKeyVDWHNRKQILHQTJ-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.17
Rot. Bonds5

About 2-methylsulfonylhex-5-en-3-ylhydrazine

2-methylsulfonylhex-5-en-3-ylhydrazine (PubChem CID 105289621) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-methylsulfonylhex-5-en-3-ylhydrazine.

Molecular Properties

Compound Name2-methylsulfonylhex-5-en-3-ylhydrazine
PubChem CID105289621
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name2-methylsulfonylhex-5-en-3-ylhydrazine
SMILESC=CCC(NN)C(C)S(C)(=O)=O
InChIInChI=1S/C7H16N2O2S/c1-4-5-7(9-8)6(2)12(3,10)11/h4,6-7,9H,1,5,8H2,2-3H3
InChIKeyVDWHNRKQILHQTJ-UHFFFAOYSA-N
XLogP-0.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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 2-methylsulfonylhex-5-en-3-ylhydrazine?
The IUPAC name of 2-methylsulfonylhex-5-en-3-ylhydrazine (CID 105289621) is 2-methylsulfonylhex-5-en-3-ylhydrazine.
What is the SMILES notation for 2-methylsulfonylhex-5-en-3-ylhydrazine?
The canonical SMILES for 2-methylsulfonylhex-5-en-3-ylhydrazine is C=CCC(NN)C(C)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonylhex-5-en-3-ylhydrazine?
The InChIKey is VDWHNRKQILHQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-4-5-7(9-8)6(2)12(3,10)11/h4,6-7,9H,1,5,8H2,2-3H3.
What are the key properties of 2-methylsulfonylhex-5-en-3-ylhydrazine?
2-methylsulfonylhex-5-en-3-ylhydrazine has a molecular weight of 192.28 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylhex-5-en-3-ylhydrazine is sourced from PubChem (CID 105289621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).