[1-(1-ethoxy-4-methylcyclohexyl)-4-ethylsulfonylbutyl]hydrazine

C15H32N2O3S — CID 105277264

IUPAC[1-(1-ethoxy-4-methylcyclohexyl)-4-ethylsulfonylbutyl]hydrazine
SMILESCCOC1(C(CCCS(=O)(=O)CC)NN)CCC(C)CC1
InChIInChI=1S/C15H32N2O3S/c1-4-20-15(10-8-13(3)9-11-15)14(17-16)7-6-12-21(18,19)5-2/h13-14,17H,4-12,16H2,1-3H3
InChIKeyYWINSHXLWFYQCC-UHFFFAOYSA-N
MW320.50 g/mol
LogP2.02
Rot. Bonds9

About [1-(1-ethoxy-4-methylcyclohexyl)-4-ethylsulfonylbutyl]hydrazine

[1-(1-ethoxy-4-methylcyclohexyl)-4-ethylsulfonylbutyl]hydrazine (PubChem CID 105277264) has the molecular formula C15H32N2O3S and a molecular weight of 320.50 g/mol. Its IUPAC name is [1-(1-ethoxy-4-methylcyclohexyl)-4-ethylsulfonylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(1-ethoxy-4-methylcyclohexyl)-4-ethylsulfonylbutyl]hydrazine
PubChem CID105277264
Molecular FormulaC15H32N2O3S
Molecular Weight320.50 g/mol
Exact Mass320.21
IUPAC Name[1-(1-ethoxy-4-methylcyclohexyl)-4-ethylsulfonylbutyl]hydrazine
SMILESCCOC1(C(CCCS(=O)(=O)CC)NN)CCC(C)CC1
InChIInChI=1S/C15H32N2O3S/c1-4-20-15(10-8-13(3)9-11-15)14(17-16)7-6-12-21(18,19)5-2/h13-14,17H,4-12,16H2,1-3H3
InChIKeyYWINSHXLWFYQCC-UHFFFAOYSA-N
XLogP2.02
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 52.02
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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Frequently Asked Questions

What is the IUPAC name of [1-(1-ethoxy-4-methylcyclohexyl)-4-ethylsulfonylbutyl]hydrazine?
The IUPAC name of [1-(1-ethoxy-4-methylcyclohexyl)-4-ethylsulfonylbutyl]hydrazine (CID 105277264) is [1-(1-ethoxy-4-methylcyclohexyl)-4-ethylsulfonylbutyl]hydrazine.
What is the SMILES notation for [1-(1-ethoxy-4-methylcyclohexyl)-4-ethylsulfonylbutyl]hydrazine?
The canonical SMILES for [1-(1-ethoxy-4-methylcyclohexyl)-4-ethylsulfonylbutyl]hydrazine is CCOC1(C(CCCS(=O)(=O)CC)NN)CCC(C)CC1.
What is the InChIKey of [1-(1-ethoxy-4-methylcyclohexyl)-4-ethylsulfonylbutyl]hydrazine?
The InChIKey is YWINSHXLWFYQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3S/c1-4-20-15(10-8-13(3)9-11-15)14(17-16)7-6-12-21(18,19)5-2/h13-14,17H,4-12,16H2,1-3H3.
What are the key properties of [1-(1-ethoxy-4-methylcyclohexyl)-4-ethylsulfonylbutyl]hydrazine?
[1-(1-ethoxy-4-methylcyclohexyl)-4-ethylsulfonylbutyl]hydrazine has a molecular weight of 320.50 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethoxy-4-methylcyclohexyl)-4-ethylsulfonylbutyl]hydrazine is sourced from PubChem (CID 105277264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).