(5-methoxy-5-methyl-1-methylsulfonylhexan-2-yl)hydrazine

C9H22N2O3S — CID 103026428

IUPAC(5-methoxy-5-methyl-1-methylsulfonylhexan-2-yl)hydrazine
SMILESCOC(C)(C)CCC(CS(C)(=O)=O)NN
InChIInChI=1S/C9H22N2O3S/c1-9(2,14-3)6-5-8(11-10)7-15(4,12)13/h8,11H,5-7,10H2,1-4H3
InChIKeyFGFNZONQBKACGC-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.07
Rot. Bonds7

About (5-methoxy-5-methyl-1-methylsulfonylhexan-2-yl)hydrazine

(5-methoxy-5-methyl-1-methylsulfonylhexan-2-yl)hydrazine (PubChem CID 103026428) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is (5-methoxy-5-methyl-1-methylsulfonylhexan-2-yl)hydrazine.

Molecular Properties

Compound Name(5-methoxy-5-methyl-1-methylsulfonylhexan-2-yl)hydrazine
PubChem CID103026428
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name(5-methoxy-5-methyl-1-methylsulfonylhexan-2-yl)hydrazine
SMILESCOC(C)(C)CCC(CS(C)(=O)=O)NN
InChIInChI=1S/C9H22N2O3S/c1-9(2,14-3)6-5-8(11-10)7-15(4,12)13/h8,11H,5-7,10H2,1-4H3
InChIKeyFGFNZONQBKACGC-UHFFFAOYSA-N
XLogP0.07
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 (5-methoxy-5-methyl-1-methylsulfonylhexan-2-yl)hydrazine?
The IUPAC name of (5-methoxy-5-methyl-1-methylsulfonylhexan-2-yl)hydrazine (CID 103026428) is (5-methoxy-5-methyl-1-methylsulfonylhexan-2-yl)hydrazine.
What is the SMILES notation for (5-methoxy-5-methyl-1-methylsulfonylhexan-2-yl)hydrazine?
The canonical SMILES for (5-methoxy-5-methyl-1-methylsulfonylhexan-2-yl)hydrazine is COC(C)(C)CCC(CS(C)(=O)=O)NN.
What is the InChIKey of (5-methoxy-5-methyl-1-methylsulfonylhexan-2-yl)hydrazine?
The InChIKey is FGFNZONQBKACGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-9(2,14-3)6-5-8(11-10)7-15(4,12)13/h8,11H,5-7,10H2,1-4H3.
What are the key properties of (5-methoxy-5-methyl-1-methylsulfonylhexan-2-yl)hydrazine?
(5-methoxy-5-methyl-1-methylsulfonylhexan-2-yl)hydrazine has a molecular weight of 238.35 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-5-methyl-1-methylsulfonylhexan-2-yl)hydrazine is sourced from PubChem (CID 103026428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).