[1-(3-bromothiophen-2-yl)-3-(oxan-2-yl)propan-2-yl]hydrazine

C12H19BrN2OS — CID 105267511

IUPAC[1-(3-bromothiophen-2-yl)-3-(oxan-2-yl)propan-2-yl]hydrazine
SMILESNNC(Cc1sccc1Br)CC1CCCCO1
InChIInChI=1S/C12H19BrN2OS/c13-11-4-6-17-12(11)8-9(15-14)7-10-3-1-2-5-16-10/h4,6,9-10,15H,1-3,5,7-8,14H2
InChIKeyIBVQFKHTSSIIJD-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.84
Rot. Bonds5

About [1-(3-bromothiophen-2-yl)-3-(oxan-2-yl)propan-2-yl]hydrazine

[1-(3-bromothiophen-2-yl)-3-(oxan-2-yl)propan-2-yl]hydrazine (PubChem CID 105267511) has the molecular formula C12H19BrN2OS and a molecular weight of 319.27 g/mol. Its IUPAC name is [1-(3-bromothiophen-2-yl)-3-(oxan-2-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromothiophen-2-yl)-3-(oxan-2-yl)propan-2-yl]hydrazine
PubChem CID105267511
Molecular FormulaC12H19BrN2OS
Molecular Weight319.27 g/mol
Exact Mass318.04
IUPAC Name[1-(3-bromothiophen-2-yl)-3-(oxan-2-yl)propan-2-yl]hydrazine
SMILESNNC(Cc1sccc1Br)CC1CCCCO1
InChIInChI=1S/C12H19BrN2OS/c13-11-4-6-17-12(11)8-9(15-14)7-10-3-1-2-5-16-10/h4,6,9-10,15H,1-3,5,7-8,14H2
InChIKeyIBVQFKHTSSIIJD-UHFFFAOYSA-N
XLogP2.84
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine
CID 105299515
[1-(oxolan-2-yl)-3-thiophen-3-ylpropan-2-yl]hydrazine
CID 105198709
[1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-yl]hydrazine
CID 105267279
[1-(oxan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
CID 105267542
1-(3-bromothiophen-2-yl)pent-4-en-2-ylhydrazine
CID 105269766
[1-(7-bicyclo[4.1.0]heptanyl)-2-(3-bromothiophen-2-yl)ethyl]hydrazine
CID 105299591
[1-(4-methyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine
CID 105198617
[1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105198717
[1-(oxolan-2-yl)-4-thiophen-2-ylbutan-2-yl]hydrazine
CID 105198543
[1-(3-bromothiophen-2-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314337
[1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propan-2-yl]hydrazine
CID 105198583
3-(3-bromothiophen-2-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244859

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromothiophen-2-yl)-3-(oxan-2-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromothiophen-2-yl)-3-(oxan-2-yl)propan-2-yl]hydrazine (CID 105267511) is [1-(3-bromothiophen-2-yl)-3-(oxan-2-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromothiophen-2-yl)-3-(oxan-2-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromothiophen-2-yl)-3-(oxan-2-yl)propan-2-yl]hydrazine is NNC(Cc1sccc1Br)CC1CCCCO1.
What is the InChIKey of [1-(3-bromothiophen-2-yl)-3-(oxan-2-yl)propan-2-yl]hydrazine?
The InChIKey is IBVQFKHTSSIIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS/c13-11-4-6-17-12(11)8-9(15-14)7-10-3-1-2-5-16-10/h4,6,9-10,15H,1-3,5,7-8,14H2.
What are the key properties of [1-(3-bromothiophen-2-yl)-3-(oxan-2-yl)propan-2-yl]hydrazine?
[1-(3-bromothiophen-2-yl)-3-(oxan-2-yl)propan-2-yl]hydrazine has a molecular weight of 319.27 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromothiophen-2-yl)-3-(oxan-2-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105267511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).