(2-methyl-2-methylsulfonylhex-5-en-3-yl)hydrazine

C8H18N2O2S — CID 105289714

IUPAC(2-methyl-2-methylsulfonylhex-5-en-3-yl)hydrazine
SMILESC=CCC(NN)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-5-6-7(10-9)8(2,3)13(4,11)12/h5,7,10H,1,6,9H2,2-4H3
InChIKeyJNLHNHIEGXJLLP-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.22
Rot. Bonds5

About (2-methyl-2-methylsulfonylhex-5-en-3-yl)hydrazine

(2-methyl-2-methylsulfonylhex-5-en-3-yl)hydrazine (PubChem CID 105289714) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is (2-methyl-2-methylsulfonylhex-5-en-3-yl)hydrazine.

Molecular Properties

Compound Name(2-methyl-2-methylsulfonylhex-5-en-3-yl)hydrazine
PubChem CID105289714
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name(2-methyl-2-methylsulfonylhex-5-en-3-yl)hydrazine
SMILESC=CCC(NN)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-5-6-7(10-9)8(2,3)13(4,11)12/h5,7,10H,1,6,9H2,2-4H3
InChIKeyJNLHNHIEGXJLLP-UHFFFAOYSA-N
XLogP0.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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': '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-methyl-2-methylsulfonylhex-5-en-3-yl)hydrazine?
The IUPAC name of (2-methyl-2-methylsulfonylhex-5-en-3-yl)hydrazine (CID 105289714) is (2-methyl-2-methylsulfonylhex-5-en-3-yl)hydrazine.
What is the SMILES notation for (2-methyl-2-methylsulfonylhex-5-en-3-yl)hydrazine?
The canonical SMILES for (2-methyl-2-methylsulfonylhex-5-en-3-yl)hydrazine is C=CCC(NN)C(C)(C)S(C)(=O)=O.
What is the InChIKey of (2-methyl-2-methylsulfonylhex-5-en-3-yl)hydrazine?
The InChIKey is JNLHNHIEGXJLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-5-6-7(10-9)8(2,3)13(4,11)12/h5,7,10H,1,6,9H2,2-4H3.
What are the key properties of (2-methyl-2-methylsulfonylhex-5-en-3-yl)hydrazine?
(2-methyl-2-methylsulfonylhex-5-en-3-yl)hydrazine has a molecular weight of 206.31 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-methylsulfonylhex-5-en-3-yl)hydrazine is sourced from PubChem (CID 105289714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).