N-[(5-bromothiophen-3-yl)methyl]hydroxylamine

C5H6BrNOS — CID 82686785

IUPACN-[(5-bromothiophen-3-yl)methyl]hydroxylamine
SMILESONCc1csc(Br)c1
InChIInChI=1S/C5H6BrNOS/c6-5-1-4(2-7-8)3-9-5/h1,3,7-8H,2H2
InChIKeyUHEYOVGPXUIGCA-UHFFFAOYSA-N
MW208.08 g/mol
LogP1.99
Rot. Bonds2

About N-[(5-bromothiophen-3-yl)methyl]hydroxylamine

N-[(5-bromothiophen-3-yl)methyl]hydroxylamine (PubChem CID 82686785) has the molecular formula C5H6BrNOS and a molecular weight of 208.08 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]hydroxylamine
PubChem CID82686785
Molecular FormulaC5H6BrNOS
Molecular Weight208.08 g/mol
Exact Mass206.94
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]hydroxylamine
SMILESONCc1csc(Br)c1
InChIInChI=1S/C5H6BrNOS/c6-5-1-4(2-7-8)3-9-5/h1,3,7-8H,2H2
InChIKeyUHEYOVGPXUIGCA-UHFFFAOYSA-N
XLogP1.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.08
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]hydroxylamine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]hydroxylamine (CID 82686785) is N-[(5-bromothiophen-3-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]hydroxylamine is ONCc1csc(Br)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]hydroxylamine?
The InChIKey is UHEYOVGPXUIGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNOS/c6-5-1-4(2-7-8)3-9-5/h1,3,7-8H,2H2.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]hydroxylamine?
N-[(5-bromothiophen-3-yl)methyl]hydroxylamine has a molecular weight of 208.08 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]hydroxylamine is sourced from PubChem (CID 82686785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).