[1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butyl]hydrazine

C12H19BrN2OS — CID 105222541

IUPAC[1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butyl]hydrazine
SMILESNNC(CCCC1CCCO1)c1cc(Br)cs1
InChIInChI=1S/C12H19BrN2OS/c13-9-7-12(17-8-9)11(15-14)5-1-3-10-4-2-6-16-10/h7-8,10-11,15H,1-6,14H2
InChIKeySNPBKZGXRZGFGZ-UHFFFAOYSA-N
MW319.27 g/mol
LogP3.36
Rot. Bonds6

About [1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butyl]hydrazine

[1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butyl]hydrazine (PubChem CID 105222541) has the molecular formula C12H19BrN2OS and a molecular weight of 319.27 g/mol. Its IUPAC name is [1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butyl]hydrazine
PubChem CID105222541
Molecular FormulaC12H19BrN2OS
Molecular Weight319.27 g/mol
Exact Mass318.04
IUPAC Name[1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butyl]hydrazine
SMILESNNC(CCCC1CCCO1)c1cc(Br)cs1
InChIInChI=1S/C12H19BrN2OS/c13-9-7-12(17-8-9)11(15-14)5-1-3-10-4-2-6-16-10/h7-8,10-11,15H,1-6,14H2
InChIKeySNPBKZGXRZGFGZ-UHFFFAOYSA-N
XLogP3.36
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 53.36
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-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 65164817
[1-(3,5-dibromophenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 114023446
[1-(3-bromo-4-methylphenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314055
[4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butyl]hydrazine
CID 105314099
2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61347967
1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 107167237
[4-(oxolan-2-yl)-1-pyrimidin-2-ylbutyl]hydrazine
CID 105203720
[1-(4-methyl-1,3-thiazol-5-yl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314053
1-(4-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 107167128
[4-(oxolan-2-yl)-1-quinoxalin-6-ylbutyl]hydrazine
CID 105221924
1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-2-amine
CID 115847784
[1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105238607

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butyl]hydrazine?
The IUPAC name of [1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butyl]hydrazine (CID 105222541) is [1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butyl]hydrazine.
What is the SMILES notation for [1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butyl]hydrazine?
The canonical SMILES for [1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butyl]hydrazine is NNC(CCCC1CCCO1)c1cc(Br)cs1.
What is the InChIKey of [1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butyl]hydrazine?
The InChIKey is SNPBKZGXRZGFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS/c13-9-7-12(17-8-9)11(15-14)5-1-3-10-4-2-6-16-10/h7-8,10-11,15H,1-6,14H2.
What are the key properties of [1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butyl]hydrazine?
[1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butyl]hydrazine has a molecular weight of 319.27 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butyl]hydrazine is sourced from PubChem (CID 105222541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).