(1,1-diethoxy-3-thiophen-3-ylpropan-2-yl)hydrazine

C11H20N2O2S — CID 105246462

IUPAC(1,1-diethoxy-3-thiophen-3-ylpropan-2-yl)hydrazine
SMILESCCOC(OCC)C(Cc1ccsc1)NN
InChIInChI=1S/C11H20N2O2S/c1-3-14-11(15-4-2)10(13-12)7-9-5-6-16-8-9/h5-6,8,10-11,13H,3-4,7,12H2,1-2H3
InChIKeyDJGVBJJDVVURDQ-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.52
Rot. Bonds8

About (1,1-diethoxy-3-thiophen-3-ylpropan-2-yl)hydrazine

(1,1-diethoxy-3-thiophen-3-ylpropan-2-yl)hydrazine (PubChem CID 105246462) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is (1,1-diethoxy-3-thiophen-3-ylpropan-2-yl)hydrazine.

Molecular Properties

Compound Name(1,1-diethoxy-3-thiophen-3-ylpropan-2-yl)hydrazine
PubChem CID105246462
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name(1,1-diethoxy-3-thiophen-3-ylpropan-2-yl)hydrazine
SMILESCCOC(OCC)C(Cc1ccsc1)NN
InChIInChI=1S/C11H20N2O2S/c1-3-14-11(15-4-2)10(13-12)7-9-5-6-16-8-9/h5-6,8,10-11,13H,3-4,7,12H2,1-2H3
InChIKeyDJGVBJJDVVURDQ-UHFFFAOYSA-N
XLogP1.52
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-methyl-1-thiophen-3-ylbutan-2-amine
CID 64542223
1-thiophen-3-ylbutan-2-ylhydrazine
CID 105201099
(1-cyclohexyl-1-methoxy-3-thiophen-3-ylpropan-2-yl)hydrazine
CID 105278717
1,4-di(thiophen-3-yl)butan-2-ylhydrazine
CID 105306843
[3-(2,6-dichlorophenyl)-1,1-diethoxypropan-2-yl]hydrazine
CID 105246265
(2S)-2-ethoxy-3-thiophen-3-ylpropanoic acid
CID 11608110
[1,1-diethoxy-3-(1-ethylpyrazol-4-yl)propan-2-yl]hydrazine
CID 105246299
1,1-difluoro-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 103516544
[1-(2,6-difluorophenyl)-3-thiophen-3-ylpropan-2-yl]hydrazine
CID 105297672
3-(2-ethylbutyl)thiophene
CID 89133993
4-ethoxy-N-ethyl-1-thiophen-3-ylpentan-3-amine
CID 64535420
4-ethoxy-N-methyl-1-thiophen-3-ylhexan-3-amine
CID 116716710

Frequently Asked Questions

What is the IUPAC name of (1,1-diethoxy-3-thiophen-3-ylpropan-2-yl)hydrazine?
The IUPAC name of (1,1-diethoxy-3-thiophen-3-ylpropan-2-yl)hydrazine (CID 105246462) is (1,1-diethoxy-3-thiophen-3-ylpropan-2-yl)hydrazine.
What is the SMILES notation for (1,1-diethoxy-3-thiophen-3-ylpropan-2-yl)hydrazine?
The canonical SMILES for (1,1-diethoxy-3-thiophen-3-ylpropan-2-yl)hydrazine is CCOC(OCC)C(Cc1ccsc1)NN.
What is the InChIKey of (1,1-diethoxy-3-thiophen-3-ylpropan-2-yl)hydrazine?
The InChIKey is DJGVBJJDVVURDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-3-14-11(15-4-2)10(13-12)7-9-5-6-16-8-9/h5-6,8,10-11,13H,3-4,7,12H2,1-2H3.
What are the key properties of (1,1-diethoxy-3-thiophen-3-ylpropan-2-yl)hydrazine?
(1,1-diethoxy-3-thiophen-3-ylpropan-2-yl)hydrazine has a molecular weight of 244.36 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-diethoxy-3-thiophen-3-ylpropan-2-yl)hydrazine is sourced from PubChem (CID 105246462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).