[3-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine

C12H26N2O2S — CID 105199009

IUPAC[3-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine
SMILESCC(C)CC(NN)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C12H26N2O2S/c1-9(2)7-12(14-13)10-5-4-6-11(8-10)17(3,15)16/h9-12,14H,4-8,13H2,1-3H3
InChIKeyYUIIECUEXHAXMM-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.47
Rot. Bonds5

About [3-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine

[3-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine (PubChem CID 105199009) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is [3-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine.

Molecular Properties

Compound Name[3-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine
PubChem CID105199009
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name[3-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine
SMILESCC(C)CC(NN)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C12H26N2O2S/c1-9(2)7-12(14-13)10-5-4-6-11(8-10)17(3,15)16/h9-12,14H,4-8,13H2,1-3H3
InChIKeyYUIIECUEXHAXMM-UHFFFAOYSA-N
XLogP1.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

[3,3,3-Trifluoro-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine
CID 105206056
[2,2,2-Trifluoro-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine
CID 105215746
[2,2-Difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine
CID 105265156
[2-Chloro-2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine
CID 105265525
[4-Methylsulfonyl-1-[3-(trifluoromethyl)cyclohexyl]butyl]hydrazine
CID 105290943
[1-(4,4-Difluorocyclohexyl)-4-methylsulfonylbutyl]hydrazine
CID 105290948
[4-Methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine
CID 105290974
[4-Methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine
CID 105291017
[4-Ethylsulfonyl-1-[3-(trifluoromethyl)cyclohexyl]butyl]hydrazine
CID 105310905
[4-Ethylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine
CID 105310930
[4-Ethylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine
CID 105310967
[(4,4-Difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324258

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine?
The IUPAC name of [3-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine (CID 105199009) is [3-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine.
What is the SMILES notation for [3-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine?
The canonical SMILES for [3-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine is CC(C)CC(NN)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of [3-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine?
The InChIKey is YUIIECUEXHAXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-9(2)7-12(14-13)10-5-4-6-11(8-10)17(3,15)16/h9-12,14H,4-8,13H2,1-3H3.
What are the key properties of [3-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine?
[3-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine has a molecular weight of 262.42 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine is sourced from PubChem (CID 105199009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).