[4-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine

C12H23F3N2O2S — CID 105291017

IUPAC[4-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine
SMILESCS(=O)(=O)CCCC(NN)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H23F3N2O2S/c1-20(18,19)8-4-7-11(17-16)9-5-2-3-6-10(9)12(13,14)15/h9-11,17H,2-8,16H2,1H3
InChIKeyBTIZQASZHLOUIN-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.01
Rot. Bonds6

About [4-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine

[4-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine (PubChem CID 105291017) has the molecular formula C12H23F3N2O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is [4-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine.

Molecular Properties

Compound Name[4-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine
PubChem CID105291017
Molecular FormulaC12H23F3N2O2S
Molecular Weight316.39 g/mol
Exact Mass316.14
IUPAC Name[4-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine
SMILESCS(=O)(=O)CCCC(NN)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H23F3N2O2S/c1-20(18,19)8-4-7-11(17-16)9-5-2-3-6-10(9)12(13,14)15/h9-11,17H,2-8,16H2,1H3
InChIKeyBTIZQASZHLOUIN-UHFFFAOYSA-N
XLogP2.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.01
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'}

Analyze [4-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine?
The IUPAC name of [4-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine (CID 105291017) is [4-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine.
What is the SMILES notation for [4-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine?
The canonical SMILES for [4-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine is CS(=O)(=O)CCCC(NN)C1CCCCC1C(F)(F)F.
What is the InChIKey of [4-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine?
The InChIKey is BTIZQASZHLOUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2S/c1-20(18,19)8-4-7-11(17-16)9-5-2-3-6-10(9)12(13,14)15/h9-11,17H,2-8,16H2,1H3.
What are the key properties of [4-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine?
[4-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine has a molecular weight of 316.39 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine is sourced from PubChem (CID 105291017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).