(8Z)-1-(2-thiophen-3-ylethyl)-3,4,6,7-tetrahydroazonine-2,5-dione

C14H17NO2S — CID 122380793

IUPAC(8Z)-1-(2-thiophen-3-ylethyl)-3,4,6,7-tetrahydroazonine-2,5-dione
SMILESO=C1CC/C=C\N(CCc2ccsc2)C(=O)CC1
InChIInChI=1S/C14H17NO2S/c16-13-3-1-2-8-15(14(17)5-4-13)9-6-12-7-10-18-11-12/h2,7-8,10-11H,1,3-6,9H2/b8-2-
InChIKeyLUKDONJKTHJYCP-WAPJZHGLSA-N
MW263.36 g/mol
LogP2.78
Rot. Bonds3

About (8Z)-1-(2-thiophen-3-ylethyl)-3,4,6,7-tetrahydroazonine-2,5-dione

(8Z)-1-(2-thiophen-3-ylethyl)-3,4,6,7-tetrahydroazonine-2,5-dione (PubChem CID 122380793) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is (8Z)-1-(2-thiophen-3-ylethyl)-3,4,6,7-tetrahydroazonine-2,5-dione.

Molecular Properties

Compound Name(8Z)-1-(2-thiophen-3-ylethyl)-3,4,6,7-tetrahydroazonine-2,5-dione
PubChem CID122380793
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name(8Z)-1-(2-thiophen-3-ylethyl)-3,4,6,7-tetrahydroazonine-2,5-dione
SMILESO=C1CC/C=C\N(CCc2ccsc2)C(=O)CC1
InChIInChI=1S/C14H17NO2S/c16-13-3-1-2-8-15(14(17)5-4-13)9-6-12-7-10-18-11-12/h2,7-8,10-11H,1,3-6,9H2/b8-2-
InChIKeyLUKDONJKTHJYCP-WAPJZHGLSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 174278289
3,3-diethyl-1-(2-thiophen-3-ylethyl)-1,4-diazepane-2,5-dione
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4,7-difluoro-1-(2-thiophen-3-ylethyl)indole-2,3-dione
CID 83215547
10-(2-thiophen-3-ylethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
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3,3-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,6-dione
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6-ethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64878701
4-(thiophen-3-ylmethyl)cyclohex-3-en-1-one
CID 83261857
1-(2-thiophen-3-ylethyl)piperidin-4-amine
CID 61474548
6-cyclopropyl-6-methyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64879360
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CID 130637760
1-(2-thiophen-3-ylethyl)pyrrolidin-2-imine
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Frequently Asked Questions

What is the IUPAC name of (8Z)-1-(2-thiophen-3-ylethyl)-3,4,6,7-tetrahydroazonine-2,5-dione?
The IUPAC name of (8Z)-1-(2-thiophen-3-ylethyl)-3,4,6,7-tetrahydroazonine-2,5-dione (CID 122380793) is (8Z)-1-(2-thiophen-3-ylethyl)-3,4,6,7-tetrahydroazonine-2,5-dione.
What is the SMILES notation for (8Z)-1-(2-thiophen-3-ylethyl)-3,4,6,7-tetrahydroazonine-2,5-dione?
The canonical SMILES for (8Z)-1-(2-thiophen-3-ylethyl)-3,4,6,7-tetrahydroazonine-2,5-dione is O=C1CC/C=C\N(CCc2ccsc2)C(=O)CC1.
What is the InChIKey of (8Z)-1-(2-thiophen-3-ylethyl)-3,4,6,7-tetrahydroazonine-2,5-dione?
The InChIKey is LUKDONJKTHJYCP-WAPJZHGLSA-N. The full InChI is InChI=1S/C14H17NO2S/c16-13-3-1-2-8-15(14(17)5-4-13)9-6-12-7-10-18-11-12/h2,7-8,10-11H,1,3-6,9H2/b8-2-.
What are the key properties of (8Z)-1-(2-thiophen-3-ylethyl)-3,4,6,7-tetrahydroazonine-2,5-dione?
(8Z)-1-(2-thiophen-3-ylethyl)-3,4,6,7-tetrahydroazonine-2,5-dione has a molecular weight of 263.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-1-(2-thiophen-3-ylethyl)-3,4,6,7-tetrahydroazonine-2,5-dione is sourced from PubChem (CID 122380793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).