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

C14H28N2OS2 — CID 105259943

IUPAC[1-(3-ethyl-1,4-dithian-2-yl)-4-(oxolan-2-yl)butyl]hydrazine
SMILESCCC1SCCSC1C(CCCC1CCCO1)NN
InChIInChI=1S/C14H28N2OS2/c1-2-13-14(19-10-9-18-13)12(16-15)7-3-5-11-6-4-8-17-11/h11-14,16H,2-10,15H2,1H3
InChIKeyZFZZQXMDGVISRM-UHFFFAOYSA-N
MW304.53 g/mol
LogP2.79
Rot. Bonds7

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

[1-(3-ethyl-1,4-dithian-2-yl)-4-(oxolan-2-yl)butyl]hydrazine (PubChem CID 105259943) has the molecular formula C14H28N2OS2 and a molecular weight of 304.53 g/mol. Its IUPAC name is [1-(3-ethyl-1,4-dithian-2-yl)-4-(oxolan-2-yl)butyl]hydrazine.

Molecular Properties

Compound Name[1-(3-ethyl-1,4-dithian-2-yl)-4-(oxolan-2-yl)butyl]hydrazine
PubChem CID105259943
Molecular FormulaC14H28N2OS2
Molecular Weight304.53 g/mol
Exact Mass304.16
IUPAC Name[1-(3-ethyl-1,4-dithian-2-yl)-4-(oxolan-2-yl)butyl]hydrazine
SMILESCCC1SCCSC1C(CCCC1CCCO1)NN
InChIInChI=1S/C14H28N2OS2/c1-2-13-14(19-10-9-18-13)12(16-15)7-3-5-11-6-4-8-17-11/h11-14,16H,2-10,15H2,1H3
InChIKeyZFZZQXMDGVISRM-UHFFFAOYSA-N
XLogP2.79
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.53
LogP ≤ 52.79
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-(3-methyloxolan-2-yl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314175
[1-(2-adamantyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314183
N-ethyl-4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine
CID 80627166
[5-methyl-1-(oxolan-2-yl)heptan-4-yl]hydrazine
CID 105219692
[1,1-diethoxy-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105246420
[1-ethylsulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105225409
[5-(oxolan-2-yl)-1-propan-2-yloxypentan-2-yl]hydrazine
CID 105314014
1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65164623
[5-methyl-5-morpholin-4-yl-1-(oxolan-2-yl)heptan-4-yl]hydrazine
CID 105241542
1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine
CID 65328878
1-(2,2-dimethylcyclopropyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 107004583
[1-cyclopropyl-1-ethoxy-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105273156

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethyl-1,4-dithian-2-yl)-4-(oxolan-2-yl)butyl]hydrazine?
The IUPAC name of [1-(3-ethyl-1,4-dithian-2-yl)-4-(oxolan-2-yl)butyl]hydrazine (CID 105259943) is [1-(3-ethyl-1,4-dithian-2-yl)-4-(oxolan-2-yl)butyl]hydrazine.
What is the SMILES notation for [1-(3-ethyl-1,4-dithian-2-yl)-4-(oxolan-2-yl)butyl]hydrazine?
The canonical SMILES for [1-(3-ethyl-1,4-dithian-2-yl)-4-(oxolan-2-yl)butyl]hydrazine is CCC1SCCSC1C(CCCC1CCCO1)NN.
What is the InChIKey of [1-(3-ethyl-1,4-dithian-2-yl)-4-(oxolan-2-yl)butyl]hydrazine?
The InChIKey is ZFZZQXMDGVISRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS2/c1-2-13-14(19-10-9-18-13)12(16-15)7-3-5-11-6-4-8-17-11/h11-14,16H,2-10,15H2,1H3.
What are the key properties of [1-(3-ethyl-1,4-dithian-2-yl)-4-(oxolan-2-yl)butyl]hydrazine?
[1-(3-ethyl-1,4-dithian-2-yl)-4-(oxolan-2-yl)butyl]hydrazine has a molecular weight of 304.53 g/mol, XLogP of 2.79, 7 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)-4-(oxolan-2-yl)butyl]hydrazine is sourced from PubChem (CID 105259943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).