(2,2-dimethyl-6-methylsulfonylhexan-3-yl)hydrazine

C9H22N2O2S — CID 105202970

IUPAC(2,2-dimethyl-6-methylsulfonylhexan-3-yl)hydrazine
SMILESCC(C)(C)C(CCCS(C)(=O)=O)NN
InChIInChI=1S/C9H22N2O2S/c1-9(2,3)8(11-10)6-5-7-14(4,12)13/h8,11H,5-7,10H2,1-4H3
InChIKeySOODFPBUVJUYDQ-UHFFFAOYSA-N
MW222.35 g/mol
LogP0.69
Rot. Bonds5

About (2,2-dimethyl-6-methylsulfonylhexan-3-yl)hydrazine

(2,2-dimethyl-6-methylsulfonylhexan-3-yl)hydrazine (PubChem CID 105202970) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is (2,2-dimethyl-6-methylsulfonylhexan-3-yl)hydrazine.

Molecular Properties

Compound Name(2,2-dimethyl-6-methylsulfonylhexan-3-yl)hydrazine
PubChem CID105202970
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC Name(2,2-dimethyl-6-methylsulfonylhexan-3-yl)hydrazine
SMILESCC(C)(C)C(CCCS(C)(=O)=O)NN
InChIInChI=1S/C9H22N2O2S/c1-9(2,3)8(11-10)6-5-7-14(4,12)13/h8,11H,5-7,10H2,1-4H3
InChIKeySOODFPBUVJUYDQ-UHFFFAOYSA-N
XLogP0.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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 (2,2-dimethyl-6-methylsulfonylhexan-3-yl)hydrazine?
The IUPAC name of (2,2-dimethyl-6-methylsulfonylhexan-3-yl)hydrazine (CID 105202970) is (2,2-dimethyl-6-methylsulfonylhexan-3-yl)hydrazine.
What is the SMILES notation for (2,2-dimethyl-6-methylsulfonylhexan-3-yl)hydrazine?
The canonical SMILES for (2,2-dimethyl-6-methylsulfonylhexan-3-yl)hydrazine is CC(C)(C)C(CCCS(C)(=O)=O)NN.
What is the InChIKey of (2,2-dimethyl-6-methylsulfonylhexan-3-yl)hydrazine?
The InChIKey is SOODFPBUVJUYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-9(2,3)8(11-10)6-5-7-14(4,12)13/h8,11H,5-7,10H2,1-4H3.
What are the key properties of (2,2-dimethyl-6-methylsulfonylhexan-3-yl)hydrazine?
(2,2-dimethyl-6-methylsulfonylhexan-3-yl)hydrazine has a molecular weight of 222.35 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-6-methylsulfonylhexan-3-yl)hydrazine is sourced from PubChem (CID 105202970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).