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

C14H15BrN2O2S — CID 105302932

IUPAC[(3-bromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydrazine
SMILESNNC(c1ccc2c(c1)OCCCO2)c1sccc1Br
InChIInChI=1S/C14H15BrN2O2S/c15-10-4-7-20-14(10)13(17-16)9-2-3-11-12(8-9)19-6-1-5-18-11/h2-4,7-8,13,17H,1,5-6,16H2
InChIKeyOSTDAPDHUPPGOF-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.22
Rot. Bonds3

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

[(3-bromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydrazine (PubChem CID 105302932) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is [(3-bromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydrazine
PubChem CID105302932
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name[(3-bromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydrazine
SMILESNNC(c1ccc2c(c1)OCCCO2)c1sccc1Br
InChIInChI=1S/C14H15BrN2O2S/c15-10-4-7-20-14(10)13(17-16)9-2-3-11-12(8-9)19-6-1-5-18-11/h2-4,7-8,13,17H,1,5-6,16H2
InChIKeyOSTDAPDHUPPGOF-UHFFFAOYSA-N
XLogP3.22
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.22
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

[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-ethylthiophen-2-yl)methyl]hydrazine
CID 105302894
[(4,5-dibromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydrazine
CID 105302953
(3-bromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 55238404
[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105261083
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105302944
[(3-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 103408542
[(3-bromothiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208216
[(2-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105301067
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 114031820
[(3-bromothiophen-2-yl)-(2-chloro-4-pyridinyl)methyl]hydrazine
CID 105252869
[(3-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105300978
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,2,2-trifluoroethyl]hydrazine
CID 105215563

Frequently Asked Questions

What is the IUPAC name of [(3-bromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydrazine?
The IUPAC name of [(3-bromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydrazine (CID 105302932) is [(3-bromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydrazine is NNC(c1ccc2c(c1)OCCCO2)c1sccc1Br.
What is the InChIKey of [(3-bromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydrazine?
The InChIKey is OSTDAPDHUPPGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c15-10-4-7-20-14(10)13(17-16)9-2-3-11-12(8-9)19-6-1-5-18-11/h2-4,7-8,13,17H,1,5-6,16H2.
What are the key properties of [(3-bromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydrazine?
[(3-bromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydrazine has a molecular weight of 355.26 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydrazine is sourced from PubChem (CID 105302932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).