1-(4,5-dibromothiophen-2-yl)-N-methoxymethanamine

C6H7Br2NOS — CID 102837054

IUPAC1-(4,5-dibromothiophen-2-yl)-N-methoxymethanamine
SMILESCONCc1cc(Br)c(Br)s1
InChIInChI=1S/C6H7Br2NOS/c1-10-9-3-4-2-5(7)6(8)11-4/h2,9H,3H2,1H3
InChIKeyXVNXULHJPCHLIG-UHFFFAOYSA-N
MW301.00 g/mol
LogP2.92
Rot. Bonds3

About 1-(4,5-dibromothiophen-2-yl)-N-methoxymethanamine

1-(4,5-dibromothiophen-2-yl)-N-methoxymethanamine (PubChem CID 102837054) has the molecular formula C6H7Br2NOS and a molecular weight of 301.00 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-N-methoxymethanamine
PubChem CID102837054
Molecular FormulaC6H7Br2NOS
Molecular Weight301.00 g/mol
Exact Mass298.86
IUPAC Name1-(4,5-dibromothiophen-2-yl)-N-methoxymethanamine
SMILESCONCc1cc(Br)c(Br)s1
InChIInChI=1S/C6H7Br2NOS/c1-10-9-3-4-2-5(7)6(8)11-4/h2,9H,3H2,1H3
InChIKeyXVNXULHJPCHLIG-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.00
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine
CID 80536287
(4,5-dibromothiophen-2-yl)methylhydrazine
CID 80536373
2-[(4,5-dibromothiophen-2-yl)methylamino]oxyacetamide
CID 102837239
N-[(4,5-dibromothiophen-2-yl)methyl]-3,4,5-trimethoxyaniline
CID 102830159
N-[(4,5-dibromothiophen-2-yl)methyl]-3-ethoxypropan-1-amine
CID 102830644
N-[(4,5-dibromothiophen-2-yl)methyl]-3,4-dimethoxyaniline
CID 102830299
N-[(4,5-dibromothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 102836416
(1S)-N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 102836707
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxycyclopentan-1-amine
CID 102835320
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 102835230
N-[(4,5-dibromothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103460897
2-[(4,5-dibromothiophen-2-yl)methylamino]propane-1,3-diol
CID 102836172

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-methoxymethanamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-methoxymethanamine (CID 102837054) is 1-(4,5-dibromothiophen-2-yl)-N-methoxymethanamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-N-methoxymethanamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-N-methoxymethanamine is CONCc1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-N-methoxymethanamine?
The InChIKey is XVNXULHJPCHLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Br2NOS/c1-10-9-3-4-2-5(7)6(8)11-4/h2,9H,3H2,1H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-N-methoxymethanamine?
1-(4,5-dibromothiophen-2-yl)-N-methoxymethanamine has a molecular weight of 301.00 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-N-methoxymethanamine is sourced from PubChem (CID 102837054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).