[1-(1,4-oxathian-2-yl)-3-thiophen-3-ylpropyl]hydrazine

C11H18N2OS2 — CID 105249682

IUPAC[1-(1,4-oxathian-2-yl)-3-thiophen-3-ylpropyl]hydrazine
SMILESNNC(CCc1ccsc1)C1CSCCO1
InChIInChI=1S/C11H18N2OS2/c12-13-10(11-8-16-6-4-14-11)2-1-9-3-5-15-7-9/h3,5,7,10-11,13H,1-2,4,6,8,12H2
InChIKeyAVGHDWCLPSWGOR-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.64
Rot. Bonds5

About [1-(1,4-oxathian-2-yl)-3-thiophen-3-ylpropyl]hydrazine

[1-(1,4-oxathian-2-yl)-3-thiophen-3-ylpropyl]hydrazine (PubChem CID 105249682) has the molecular formula C11H18N2OS2 and a molecular weight of 258.41 g/mol. Its IUPAC name is [1-(1,4-oxathian-2-yl)-3-thiophen-3-ylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(1,4-oxathian-2-yl)-3-thiophen-3-ylpropyl]hydrazine
PubChem CID105249682
Molecular FormulaC11H18N2OS2
Molecular Weight258.41 g/mol
Exact Mass258.09
IUPAC Name[1-(1,4-oxathian-2-yl)-3-thiophen-3-ylpropyl]hydrazine
SMILESNNC(CCc1ccsc1)C1CSCCO1
InChIInChI=1S/C11H18N2OS2/c12-13-10(11-8-16-6-4-14-11)2-1-9-3-5-15-7-9/h3,5,7,10-11,13H,1-2,4,6,8,12H2
InChIKeyAVGHDWCLPSWGOR-UHFFFAOYSA-N
XLogP1.64
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.64
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-(1,4-oxathian-2-yl)-2-phenylethyl]hydrazine
CID 105249482
[1-(2,3-dihydro-1-benzofuran-2-yl)-3-thiophen-3-ylpropyl]hydrazine
CID 105262963
[2-(4-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 105249744
1-(1,4-oxathian-2-yl)pent-4-enylhydrazine
CID 105249626
1-(1,4-oxathian-2-yl)propylhydrazine
CID 105249656
1-(1,4-oxathian-2-yl)heptylhydrazine
CID 105249713
[3-methyl-1-(1,4-oxathian-2-yl)butyl]hydrazine
CID 105249480
1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 65351038
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-thiophen-3-ylpropyl]hydrazine
CID 105224774
[2-cyclohexyl-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 105249582
[2-(5-ethyl-2-pyridinyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 105249552
1-(oxolan-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 65331589

Frequently Asked Questions

What is the IUPAC name of [1-(1,4-oxathian-2-yl)-3-thiophen-3-ylpropyl]hydrazine?
The IUPAC name of [1-(1,4-oxathian-2-yl)-3-thiophen-3-ylpropyl]hydrazine (CID 105249682) is [1-(1,4-oxathian-2-yl)-3-thiophen-3-ylpropyl]hydrazine.
What is the SMILES notation for [1-(1,4-oxathian-2-yl)-3-thiophen-3-ylpropyl]hydrazine?
The canonical SMILES for [1-(1,4-oxathian-2-yl)-3-thiophen-3-ylpropyl]hydrazine is NNC(CCc1ccsc1)C1CSCCO1.
What is the InChIKey of [1-(1,4-oxathian-2-yl)-3-thiophen-3-ylpropyl]hydrazine?
The InChIKey is AVGHDWCLPSWGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS2/c12-13-10(11-8-16-6-4-14-11)2-1-9-3-5-15-7-9/h3,5,7,10-11,13H,1-2,4,6,8,12H2.
What are the key properties of [1-(1,4-oxathian-2-yl)-3-thiophen-3-ylpropyl]hydrazine?
[1-(1,4-oxathian-2-yl)-3-thiophen-3-ylpropyl]hydrazine has a molecular weight of 258.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,4-oxathian-2-yl)-3-thiophen-3-ylpropyl]hydrazine is sourced from PubChem (CID 105249682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).