[2-ethoxy-2-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine

C14H30N2O3S — CID 105274820

IUPAC[2-ethoxy-2-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine
SMILESCCOC(C)(CC)C(NN)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C14H30N2O3S/c1-5-14(3,19-6-2)13(16-15)11-8-7-9-12(10-11)20(4,17)18/h11-13,16H,5-10,15H2,1-4H3
InChIKeySFGAWAKICDLNCI-UHFFFAOYSA-N
MW306.47 g/mol
LogP1.63
Rot. Bonds7

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

[2-ethoxy-2-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine (PubChem CID 105274820) has the molecular formula C14H30N2O3S and a molecular weight of 306.47 g/mol. Its IUPAC name is [2-ethoxy-2-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine.

Molecular Properties

Compound Name[2-ethoxy-2-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine
PubChem CID105274820
Molecular FormulaC14H30N2O3S
Molecular Weight306.47 g/mol
Exact Mass306.20
IUPAC Name[2-ethoxy-2-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine
SMILESCCOC(C)(CC)C(NN)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C14H30N2O3S/c1-5-14(3,19-6-2)13(16-15)11-8-7-9-12(10-11)20(4,17)18/h11-13,16H,5-10,15H2,1-4H3
InChIKeySFGAWAKICDLNCI-UHFFFAOYSA-N
XLogP1.63
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-cyclobutyl-2-ethoxy-2-methylbutyl)hydrazine
CID 105274890
N,N-diethyl-1-hydrazinyl-2-methyl-1-(3-methylsulfonylcyclohexyl)propan-2-amine
CID 105239337
(1-cyclobutyl-2-methoxy-2-methylbutyl)hydrazine
CID 105274552
[cyclopentyl-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105204403
2,2-dimethyl-1-(3-methylsulfonylcyclohexyl)butan-1-ol
CID 115822140
(1-cyclobutyl-3-ethoxy-3-methylpentan-2-yl)hydrazine
CID 105274806
[2-ethoxy-2-ethyl-1-(3-ethylcyclohexyl)butyl]hydrazine
CID 105275090
[2-methylsulfanyl-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine
CID 105213955
[2-cyclohexyl-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine
CID 105324224
N-ethyl-3-methyl-1-(3-methylsulfonylcyclohexyl)pentan-1-amine
CID 105014219
N,3,5,5-tetramethyl-1-(3-methylsulfonylcyclohexyl)hexan-1-amine
CID 105014333
dimethyl 2-(3-methylsulfonylcyclohexyl)propanedioate
CID 103972496

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-2-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine?
The IUPAC name of [2-ethoxy-2-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine (CID 105274820) is [2-ethoxy-2-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine.
What is the SMILES notation for [2-ethoxy-2-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine?
The canonical SMILES for [2-ethoxy-2-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine is CCOC(C)(CC)C(NN)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of [2-ethoxy-2-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine?
The InChIKey is SFGAWAKICDLNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3S/c1-5-14(3,19-6-2)13(16-15)11-8-7-9-12(10-11)20(4,17)18/h11-13,16H,5-10,15H2,1-4H3.
What are the key properties of [2-ethoxy-2-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine?
[2-ethoxy-2-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine has a molecular weight of 306.47 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-2-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine is sourced from PubChem (CID 105274820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).