[1-(3-ethyl-1,4-dithian-2-yl)-2-(oxan-4-yl)ethyl]hydrazine

C13H26N2OS2 — CID 105259825

IUPAC[1-(3-ethyl-1,4-dithian-2-yl)-2-(oxan-4-yl)ethyl]hydrazine
SMILESCCC1SCCSC1C(CC1CCOCC1)NN
InChIInChI=1S/C13H26N2OS2/c1-2-12-13(18-8-7-17-12)11(15-14)9-10-3-5-16-6-4-10/h10-13,15H,2-9,14H2,1H3
InChIKeyNYFZAMFFOMBJQV-UHFFFAOYSA-N
MW290.50 g/mol
LogP2.26
Rot. Bonds5

About [1-(3-ethyl-1,4-dithian-2-yl)-2-(oxan-4-yl)ethyl]hydrazine

[1-(3-ethyl-1,4-dithian-2-yl)-2-(oxan-4-yl)ethyl]hydrazine (PubChem CID 105259825) has the molecular formula C13H26N2OS2 and a molecular weight of 290.50 g/mol. Its IUPAC name is [1-(3-ethyl-1,4-dithian-2-yl)-2-(oxan-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-ethyl-1,4-dithian-2-yl)-2-(oxan-4-yl)ethyl]hydrazine
PubChem CID105259825
Molecular FormulaC13H26N2OS2
Molecular Weight290.50 g/mol
Exact Mass290.15
IUPAC Name[1-(3-ethyl-1,4-dithian-2-yl)-2-(oxan-4-yl)ethyl]hydrazine
SMILESCCC1SCCSC1C(CC1CCOCC1)NN
InChIInChI=1S/C13H26N2OS2/c1-2-12-13(18-8-7-17-12)11(15-14)9-10-3-5-16-6-4-10/h10-13,15H,2-9,14H2,1H3
InChIKeyNYFZAMFFOMBJQV-UHFFFAOYSA-N
XLogP2.26
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 52.26
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

N-[(3-ethyl-1,4-dithian-2-yl)-(oxan-4-yl)methyl]ethanamine
CID 115387957
2-cyclopropyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine
CID 115387594
1-(3-ethyl-1,4-dithian-2-yl)nonylhydrazine
CID 105259853
[1-(3-ethyl-1,4-dithian-2-yl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105259943
[1-(3-ethyl-1,4-dithian-2-yl)-3-methylsulfonylpropyl]hydrazine
CID 114984877
[1-cycloheptyl-2-(oxan-4-yl)ethyl]hydrazine
CID 105231923
[1-cyclopropyl-2-(oxolan-3-yl)ethyl]hydrazine
CID 105265931
1-(3-ethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine
CID 105259884
(4-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanamine
CID 113299690
[1-(3-ethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105259997
[1-(3-ethyl-1,4-dithian-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105259904
[2-(5-chloro-2-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 103053681

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethyl-1,4-dithian-2-yl)-2-(oxan-4-yl)ethyl]hydrazine?
The IUPAC name of [1-(3-ethyl-1,4-dithian-2-yl)-2-(oxan-4-yl)ethyl]hydrazine (CID 105259825) is [1-(3-ethyl-1,4-dithian-2-yl)-2-(oxan-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-ethyl-1,4-dithian-2-yl)-2-(oxan-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-(3-ethyl-1,4-dithian-2-yl)-2-(oxan-4-yl)ethyl]hydrazine is CCC1SCCSC1C(CC1CCOCC1)NN.
What is the InChIKey of [1-(3-ethyl-1,4-dithian-2-yl)-2-(oxan-4-yl)ethyl]hydrazine?
The InChIKey is NYFZAMFFOMBJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS2/c1-2-12-13(18-8-7-17-12)11(15-14)9-10-3-5-16-6-4-10/h10-13,15H,2-9,14H2,1H3.
What are the key properties of [1-(3-ethyl-1,4-dithian-2-yl)-2-(oxan-4-yl)ethyl]hydrazine?
[1-(3-ethyl-1,4-dithian-2-yl)-2-(oxan-4-yl)ethyl]hydrazine has a molecular weight of 290.50 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethyl-1,4-dithian-2-yl)-2-(oxan-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105259825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).