[2,2-dimethyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine

C12H26N2O2S — CID 105203087

IUPAC[2,2-dimethyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine
SMILESCC(C)(C)C(NN)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C12H26N2O2S/c1-12(2,3)11(14-13)9-6-5-7-10(8-9)17(4,15)16/h9-11,14H,5-8,13H2,1-4H3
InChIKeyPEHQZIJIGZRUQR-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.47
Rot. Bonds3

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

[2,2-dimethyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine (PubChem CID 105203087) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is [2,2-dimethyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine.

Molecular Properties

Compound Name[2,2-dimethyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine
PubChem CID105203087
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name[2,2-dimethyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine
SMILESCC(C)(C)C(NN)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C12H26N2O2S/c1-12(2,3)11(14-13)9-6-5-7-10(8-9)17(4,15)16/h9-11,14H,5-8,13H2,1-4H3
InChIKeyPEHQZIJIGZRUQR-UHFFFAOYSA-N
XLogP1.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.47
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-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine?
The IUPAC name of [2,2-dimethyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine (CID 105203087) is [2,2-dimethyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine.
What is the SMILES notation for [2,2-dimethyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine?
The canonical SMILES for [2,2-dimethyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine is CC(C)(C)C(NN)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of [2,2-dimethyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine?
The InChIKey is PEHQZIJIGZRUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-12(2,3)11(14-13)9-6-5-7-10(8-9)17(4,15)16/h9-11,14H,5-8,13H2,1-4H3.
What are the key properties of [2,2-dimethyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine?
[2,2-dimethyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine has a molecular weight of 262.42 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine is sourced from PubChem (CID 105203087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).