[1-(1-ethoxycyclopentyl)-4-ethylsulfonylbutyl]hydrazine

C13H28N2O3S — CID 105275655

IUPAC[1-(1-ethoxycyclopentyl)-4-ethylsulfonylbutyl]hydrazine
SMILESCCOC1(C(CCCS(=O)(=O)CC)NN)CCCC1
InChIInChI=1S/C13H28N2O3S/c1-3-18-13(9-5-6-10-13)12(15-14)8-7-11-19(16,17)4-2/h12,15H,3-11,14H2,1-2H3
InChIKeyUKPDZZIFYSPMKG-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.38
Rot. Bonds9

About [1-(1-ethoxycyclopentyl)-4-ethylsulfonylbutyl]hydrazine

[1-(1-ethoxycyclopentyl)-4-ethylsulfonylbutyl]hydrazine (PubChem CID 105275655) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is [1-(1-ethoxycyclopentyl)-4-ethylsulfonylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(1-ethoxycyclopentyl)-4-ethylsulfonylbutyl]hydrazine
PubChem CID105275655
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name[1-(1-ethoxycyclopentyl)-4-ethylsulfonylbutyl]hydrazine
SMILESCCOC1(C(CCCS(=O)(=O)CC)NN)CCCC1
InChIInChI=1S/C13H28N2O3S/c1-3-18-13(9-5-6-10-13)12(15-14)8-7-11-19(16,17)4-2/h12,15H,3-11,14H2,1-2H3
InChIKeyUKPDZZIFYSPMKG-UHFFFAOYSA-N
XLogP1.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.38
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-ethoxycyclopentyl)-4-ethylsulfonylbutyl]hydrazine?
The IUPAC name of [1-(1-ethoxycyclopentyl)-4-ethylsulfonylbutyl]hydrazine (CID 105275655) is [1-(1-ethoxycyclopentyl)-4-ethylsulfonylbutyl]hydrazine.
What is the SMILES notation for [1-(1-ethoxycyclopentyl)-4-ethylsulfonylbutyl]hydrazine?
The canonical SMILES for [1-(1-ethoxycyclopentyl)-4-ethylsulfonylbutyl]hydrazine is CCOC1(C(CCCS(=O)(=O)CC)NN)CCCC1.
What is the InChIKey of [1-(1-ethoxycyclopentyl)-4-ethylsulfonylbutyl]hydrazine?
The InChIKey is UKPDZZIFYSPMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-3-18-13(9-5-6-10-13)12(15-14)8-7-11-19(16,17)4-2/h12,15H,3-11,14H2,1-2H3.
What are the key properties of [1-(1-ethoxycyclopentyl)-4-ethylsulfonylbutyl]hydrazine?
[1-(1-ethoxycyclopentyl)-4-ethylsulfonylbutyl]hydrazine has a molecular weight of 292.44 g/mol, XLogP of 1.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethoxycyclopentyl)-4-ethylsulfonylbutyl]hydrazine is sourced from PubChem (CID 105275655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).