(4-methyl-1-methylsulfonylpentan-2-yl)hydrazine

C7H18N2O2S — CID 105282843

IUPAC(4-methyl-1-methylsulfonylpentan-2-yl)hydrazine
SMILESCC(C)CC(CS(C)(=O)=O)NN
InChIInChI=1S/C7H18N2O2S/c1-6(2)4-7(9-8)5-12(3,10)11/h6-7,9H,4-5,8H2,1-3H3
InChIKeyDYYBKBAIPACGRG-UHFFFAOYSA-N
MW194.30 g/mol
LogP-0.09
Rot. Bonds5

About (4-methyl-1-methylsulfonylpentan-2-yl)hydrazine

(4-methyl-1-methylsulfonylpentan-2-yl)hydrazine (PubChem CID 105282843) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is (4-methyl-1-methylsulfonylpentan-2-yl)hydrazine.

Molecular Properties

Compound Name(4-methyl-1-methylsulfonylpentan-2-yl)hydrazine
PubChem CID105282843
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC Name(4-methyl-1-methylsulfonylpentan-2-yl)hydrazine
SMILESCC(C)CC(CS(C)(=O)=O)NN
InChIInChI=1S/C7H18N2O2S/c1-6(2)4-7(9-8)5-12(3,10)11/h6-7,9H,4-5,8H2,1-3H3
InChIKeyDYYBKBAIPACGRG-UHFFFAOYSA-N
XLogP-0.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 5-0.09
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 (4-methyl-1-methylsulfonylpentan-2-yl)hydrazine?
The IUPAC name of (4-methyl-1-methylsulfonylpentan-2-yl)hydrazine (CID 105282843) is (4-methyl-1-methylsulfonylpentan-2-yl)hydrazine.
What is the SMILES notation for (4-methyl-1-methylsulfonylpentan-2-yl)hydrazine?
The canonical SMILES for (4-methyl-1-methylsulfonylpentan-2-yl)hydrazine is CC(C)CC(CS(C)(=O)=O)NN.
What is the InChIKey of (4-methyl-1-methylsulfonylpentan-2-yl)hydrazine?
The InChIKey is DYYBKBAIPACGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-6(2)4-7(9-8)5-12(3,10)11/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of (4-methyl-1-methylsulfonylpentan-2-yl)hydrazine?
(4-methyl-1-methylsulfonylpentan-2-yl)hydrazine has a molecular weight of 194.30 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1-methylsulfonylpentan-2-yl)hydrazine is sourced from PubChem (CID 105282843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).