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

C13H28N2O2S — CID 105310891

IUPAC[1-(1-ethylcyclopentyl)-4-ethylsulfonylbutyl]hydrazine
SMILESCCC1(C(CCCS(=O)(=O)CC)NN)CCCC1
InChIInChI=1S/C13H28N2O2S/c1-3-13(9-5-6-10-13)12(15-14)8-7-11-18(16,17)4-2/h12,15H,3-11,14H2,1-2H3
InChIKeyNUPITVHJXGTNHR-UHFFFAOYSA-N
MW276.45 g/mol
LogP2.00
Rot. Bonds8

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

[1-(1-ethylcyclopentyl)-4-ethylsulfonylbutyl]hydrazine (PubChem CID 105310891) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is [1-(1-ethylcyclopentyl)-4-ethylsulfonylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(1-ethylcyclopentyl)-4-ethylsulfonylbutyl]hydrazine
PubChem CID105310891
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name[1-(1-ethylcyclopentyl)-4-ethylsulfonylbutyl]hydrazine
SMILESCCC1(C(CCCS(=O)(=O)CC)NN)CCCC1
InChIInChI=1S/C13H28N2O2S/c1-3-13(9-5-6-10-13)12(15-14)8-7-11-18(16,17)4-2/h12,15H,3-11,14H2,1-2H3
InChIKeyNUPITVHJXGTNHR-UHFFFAOYSA-N
XLogP2.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.00
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

(1-Cyclobutyl-5-methylsulfonylpentan-2-yl)hydrazine
CID 103170426
(1-Cyclobutyl-5-ethylsulfonylpentan-2-yl)hydrazine
CID 103170569
(1-Ethylsulfonyl-6-methylheptan-4-yl)hydrazine
CID 105198871
(6-Ethylsulfonyl-2-methylhexan-3-yl)hydrazine
CID 105199486
1-(3-Methylsulfonylcyclohexyl)propylhydrazine
CID 105201063
1-(3-Methylsulfonylcyclohexyl)ethylhydrazine
CID 105201310
(1-Cyclohexyl-4-ethylsulfonylbutyl)hydrazine
CID 105201747
(1-Cyclohexyl-4-methylsulfonylbutyl)hydrazine
CID 105201754
1-(3-Methylsulfonylcyclohexyl)butylhydrazine
CID 105202191
(6-Ethylsulfonyl-2,2-dimethylhexan-3-yl)hydrazine
CID 105202963
(2,2-Dimethyl-6-methylsulfonylhexan-3-yl)hydrazine
CID 105202970
[2,2-Dimethyl-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine
CID 105203087

Frequently Asked Questions

What is the IUPAC name of [1-(1-ethylcyclopentyl)-4-ethylsulfonylbutyl]hydrazine?
The IUPAC name of [1-(1-ethylcyclopentyl)-4-ethylsulfonylbutyl]hydrazine (CID 105310891) is [1-(1-ethylcyclopentyl)-4-ethylsulfonylbutyl]hydrazine.
What is the SMILES notation for [1-(1-ethylcyclopentyl)-4-ethylsulfonylbutyl]hydrazine?
The canonical SMILES for [1-(1-ethylcyclopentyl)-4-ethylsulfonylbutyl]hydrazine is CCC1(C(CCCS(=O)(=O)CC)NN)CCCC1.
What is the InChIKey of [1-(1-ethylcyclopentyl)-4-ethylsulfonylbutyl]hydrazine?
The InChIKey is NUPITVHJXGTNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-3-13(9-5-6-10-13)12(15-14)8-7-11-18(16,17)4-2/h12,15H,3-11,14H2,1-2H3.
What are the key properties of [1-(1-ethylcyclopentyl)-4-ethylsulfonylbutyl]hydrazine?
[1-(1-ethylcyclopentyl)-4-ethylsulfonylbutyl]hydrazine has a molecular weight of 276.45 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethylcyclopentyl)-4-ethylsulfonylbutyl]hydrazine is sourced from PubChem (CID 105310891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).