[2-methyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine

C11H24N2O2S — CID 105199611

IUPAC[2-methyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine
SMILESCC(C)C(NN)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C11H24N2O2S/c1-8(2)11(13-12)9-5-4-6-10(7-9)16(3,14)15/h8-11,13H,4-7,12H2,1-3H3
InChIKeySXMAFGISVGSZRL-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.08
Rot. Bonds4

About [2-methyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine

[2-methyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine (PubChem CID 105199611) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is [2-methyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine.

Molecular Properties

Compound Name[2-methyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine
PubChem CID105199611
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name[2-methyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine
SMILESCC(C)C(NN)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C11H24N2O2S/c1-8(2)11(13-12)9-5-4-6-10(7-9)16(3,14)15/h8-11,13H,4-7,12H2,1-3H3
InChIKeySXMAFGISVGSZRL-UHFFFAOYSA-N
XLogP1.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.08
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-methyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine?
The IUPAC name of [2-methyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine (CID 105199611) is [2-methyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine.
What is the SMILES notation for [2-methyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine?
The canonical SMILES for [2-methyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine is CC(C)C(NN)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of [2-methyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine?
The InChIKey is SXMAFGISVGSZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-8(2)11(13-12)9-5-4-6-10(7-9)16(3,14)15/h8-11,13H,4-7,12H2,1-3H3.
What are the key properties of [2-methyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine?
[2-methyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine has a molecular weight of 248.39 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine is sourced from PubChem (CID 105199611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).