[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-ethylthiophen-2-yl)methyl]hydrazine

C16H20N2O2S — CID 105302894

IUPAC[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-ethylthiophen-2-yl)methyl]hydrazine
SMILESCCc1ccsc1C(NN)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C16H20N2O2S/c1-2-11-6-9-21-16(11)15(18-17)12-4-5-13-14(10-12)20-8-3-7-19-13/h4-6,9-10,15,18H,2-3,7-8,17H2,1H3
InChIKeyAHBCBSXBXIHSFU-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.02
Rot. Bonds4

About [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-ethylthiophen-2-yl)methyl]hydrazine

[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-ethylthiophen-2-yl)methyl]hydrazine (PubChem CID 105302894) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-ethylthiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-ethylthiophen-2-yl)methyl]hydrazine
PubChem CID105302894
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-ethylthiophen-2-yl)methyl]hydrazine
SMILESCCc1ccsc1C(NN)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C16H20N2O2S/c1-2-11-6-9-21-16(11)15(18-17)12-4-5-13-14(10-12)20-8-3-7-19-13/h4-6,9-10,15,18H,2-3,7-8,17H2,1H3
InChIKeyAHBCBSXBXIHSFU-UHFFFAOYSA-N
XLogP3.02
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.02
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

[(3-bromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydrazine
CID 105302932
1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 79985465
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 79985787
[(4-cyclobutylphenyl)-(3-ethylthiophen-2-yl)methyl]hydrazine
CID 105338117
[(3-ethylthiophen-2-yl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313192
[(3-ethylthiophen-2-yl)-(3-propylphenyl)methyl]hydrazine
CID 105340477
[(3-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 103408542
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 114031820
[(4,5-dibromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydrazine
CID 105302953
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105302944
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105143327
5-[chloro-(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 79975052

Frequently Asked Questions

What is the IUPAC name of [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-ethylthiophen-2-yl)methyl]hydrazine?
The IUPAC name of [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-ethylthiophen-2-yl)methyl]hydrazine (CID 105302894) is [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-ethylthiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-ethylthiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-ethylthiophen-2-yl)methyl]hydrazine is CCc1ccsc1C(NN)c1ccc2c(c1)OCCCO2.
What is the InChIKey of [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-ethylthiophen-2-yl)methyl]hydrazine?
The InChIKey is AHBCBSXBXIHSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-2-11-6-9-21-16(11)15(18-17)12-4-5-13-14(10-12)20-8-3-7-19-13/h4-6,9-10,15,18H,2-3,7-8,17H2,1H3.
What are the key properties of [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-ethylthiophen-2-yl)methyl]hydrazine?
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-ethylthiophen-2-yl)methyl]hydrazine has a molecular weight of 304.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-ethylthiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 105302894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).