(6-methyl-1-methylsulfonylheptan-4-yl)hydrazine

C9H22N2O2S — CID 105198878

IUPAC(6-methyl-1-methylsulfonylheptan-4-yl)hydrazine
SMILESCC(C)CC(CCCS(C)(=O)=O)NN
InChIInChI=1S/C9H22N2O2S/c1-8(2)7-9(11-10)5-4-6-14(3,12)13/h8-9,11H,4-7,10H2,1-3H3
InChIKeyYMIFOHUAOBOZJT-UHFFFAOYSA-N
MW222.35 g/mol
LogP0.69
Rot. Bonds7

About (6-methyl-1-methylsulfonylheptan-4-yl)hydrazine

(6-methyl-1-methylsulfonylheptan-4-yl)hydrazine (PubChem CID 105198878) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is (6-methyl-1-methylsulfonylheptan-4-yl)hydrazine.

Molecular Properties

Compound Name(6-methyl-1-methylsulfonylheptan-4-yl)hydrazine
PubChem CID105198878
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC Name(6-methyl-1-methylsulfonylheptan-4-yl)hydrazine
SMILESCC(C)CC(CCCS(C)(=O)=O)NN
InChIInChI=1S/C9H22N2O2S/c1-8(2)7-9(11-10)5-4-6-14(3,12)13/h8-9,11H,4-7,10H2,1-3H3
InChIKeyYMIFOHUAOBOZJT-UHFFFAOYSA-N
XLogP0.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (6-methyl-1-methylsulfonylheptan-4-yl)hydrazine?
The IUPAC name of (6-methyl-1-methylsulfonylheptan-4-yl)hydrazine (CID 105198878) is (6-methyl-1-methylsulfonylheptan-4-yl)hydrazine.
What is the SMILES notation for (6-methyl-1-methylsulfonylheptan-4-yl)hydrazine?
The canonical SMILES for (6-methyl-1-methylsulfonylheptan-4-yl)hydrazine is CC(C)CC(CCCS(C)(=O)=O)NN.
What is the InChIKey of (6-methyl-1-methylsulfonylheptan-4-yl)hydrazine?
The InChIKey is YMIFOHUAOBOZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-8(2)7-9(11-10)5-4-6-14(3,12)13/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of (6-methyl-1-methylsulfonylheptan-4-yl)hydrazine?
(6-methyl-1-methylsulfonylheptan-4-yl)hydrazine has a molecular weight of 222.35 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1-methylsulfonylheptan-4-yl)hydrazine is sourced from PubChem (CID 105198878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).