[1-(2,2-dimethylcyclohexyl)-4-methylsulfonylbutyl]hydrazine

C13H28N2O2S — CID 107193485

IUPAC[1-(2,2-dimethylcyclohexyl)-4-methylsulfonylbutyl]hydrazine
SMILESCC1(C)CCCCC1C(CCCS(C)(=O)=O)NN
InChIInChI=1S/C13H28N2O2S/c1-13(2)9-5-4-7-11(13)12(15-14)8-6-10-18(3,16)17/h11-12,15H,4-10,14H2,1-3H3
InChIKeySJBKSGBEOIDPCA-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.86
Rot. Bonds6

About [1-(2,2-dimethylcyclohexyl)-4-methylsulfonylbutyl]hydrazine

[1-(2,2-dimethylcyclohexyl)-4-methylsulfonylbutyl]hydrazine (PubChem CID 107193485) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is [1-(2,2-dimethylcyclohexyl)-4-methylsulfonylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(2,2-dimethylcyclohexyl)-4-methylsulfonylbutyl]hydrazine
PubChem CID107193485
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name[1-(2,2-dimethylcyclohexyl)-4-methylsulfonylbutyl]hydrazine
SMILESCC1(C)CCCCC1C(CCCS(C)(=O)=O)NN
InChIInChI=1S/C13H28N2O2S/c1-13(2)9-5-4-7-11(13)12(15-14)8-6-10-18(3,16)17/h11-12,15H,4-10,14H2,1-3H3
InChIKeySJBKSGBEOIDPCA-UHFFFAOYSA-N
XLogP1.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.86
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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Related Compounds

1-(2,2-dimethylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 107188047
1-(2,2-dimethylcyclohexyl)decylhydrazine
CID 107193551
[2-cyclobutyl-1-(2,2-dimethylcyclohexyl)ethyl]hydrazine
CID 107194022
[1-(3-bicyclo[3.1.0]hexanyl)-4-methylsulfonylbutyl]hydrazine
CID 105290867
[4-methylsulfonyl-1-(oxolan-3-yl)butyl]hydrazine
CID 105229315
1-(2,2-dimethylcyclopentyl)but-3-ynylhydrazine
CID 107193222
1-(2,2-dimethylcyclohexyl)-N-methylpropan-1-amine
CID 79852591
1-(2,2-dimethylcyclohexyl)-N,4-dimethylpentan-1-amine
CID 107188192
1-cyclopentyl-5-methylsulfonylpentan-2-amine
CID 115820782
1-(2,2-dimethylcyclopentyl)-N-methyloctan-1-amine
CID 107188160
[1-(2,2-dimethylcyclopentyl)-2-ethoxyethyl]hydrazine
CID 107194346
[2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethyl]hydrazine
CID 107193665

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-dimethylcyclohexyl)-4-methylsulfonylbutyl]hydrazine?
The IUPAC name of [1-(2,2-dimethylcyclohexyl)-4-methylsulfonylbutyl]hydrazine (CID 107193485) is [1-(2,2-dimethylcyclohexyl)-4-methylsulfonylbutyl]hydrazine.
What is the SMILES notation for [1-(2,2-dimethylcyclohexyl)-4-methylsulfonylbutyl]hydrazine?
The canonical SMILES for [1-(2,2-dimethylcyclohexyl)-4-methylsulfonylbutyl]hydrazine is CC1(C)CCCCC1C(CCCS(C)(=O)=O)NN.
What is the InChIKey of [1-(2,2-dimethylcyclohexyl)-4-methylsulfonylbutyl]hydrazine?
The InChIKey is SJBKSGBEOIDPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-13(2)9-5-4-7-11(13)12(15-14)8-6-10-18(3,16)17/h11-12,15H,4-10,14H2,1-3H3.
What are the key properties of [1-(2,2-dimethylcyclohexyl)-4-methylsulfonylbutyl]hydrazine?
[1-(2,2-dimethylcyclohexyl)-4-methylsulfonylbutyl]hydrazine has a molecular weight of 276.45 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-dimethylcyclohexyl)-4-methylsulfonylbutyl]hydrazine is sourced from PubChem (CID 107193485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).