1-(2,5-dibromothiophene-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide

C11H13Br2N3O2S — CID 107965214

IUPAC1-(2,5-dibromothiophene-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
SMILESN/C(=N/O)C1CCN(C(=O)c2cc(Br)sc2Br)CC1
InChIInChI=1S/C11H13Br2N3O2S/c12-8-5-7(9(13)19-8)11(17)16-3-1-6(2-4-16)10(14)15-18/h5-6,18H,1-4H2,(H2,14,15)
InChIKeyXSUNBQQZUBTFAE-UHFFFAOYSA-N
MW411.12 g/mol
LogP2.87
Rot. Bonds2

About 1-(2,5-dibromothiophene-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide

1-(2,5-dibromothiophene-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide (PubChem CID 107965214) has the molecular formula C11H13Br2N3O2S and a molecular weight of 411.12 g/mol. Its IUPAC name is 1-(2,5-dibromothiophene-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(2,5-dibromothiophene-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
PubChem CID107965214
Molecular FormulaC11H13Br2N3O2S
Molecular Weight411.12 g/mol
Exact Mass408.91
IUPAC Name1-(2,5-dibromothiophene-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
SMILESN/C(=N/O)C1CCN(C(=O)c2cc(Br)sc2Br)CC1
InChIInChI=1S/C11H13Br2N3O2S/c12-8-5-7(9(13)19-8)11(17)16-3-1-6(2-4-16)10(14)15-18/h5-6,18H,1-4H2,(H2,14,15)
InChIKeyXSUNBQQZUBTFAE-UHFFFAOYSA-N
XLogP2.87
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.12
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dibromothiophene-3-carbonyl)piperidine-4-carbothioamide
CID 114021251
1-(2,4-dibromobenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 107940588
(2,5-dibromothiophen-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119562967
1-(2-bromo-4-chlorobenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 107992513
(2,5-dibromothiophen-3-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 103878368
(2,5-dibromothiophen-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 103745564
1-(2-bromo-5-methoxybenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038523
1-(3-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038674
N'-hydroxy-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboximidamide
CID 79754702
1-(3-bromo-4-methylbenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 81476577
1-(2-fluoro-5-methylbenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038997
N'-hydroxy-1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-4-carboximidamide
CID 80745423

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophene-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide?
The IUPAC name of 1-(2,5-dibromothiophene-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide (CID 107965214) is 1-(2,5-dibromothiophene-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide.
What is the SMILES notation for 1-(2,5-dibromothiophene-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide?
The canonical SMILES for 1-(2,5-dibromothiophene-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide is N/C(=N/O)C1CCN(C(=O)c2cc(Br)sc2Br)CC1.
What is the InChIKey of 1-(2,5-dibromothiophene-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide?
The InChIKey is XSUNBQQZUBTFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2N3O2S/c12-8-5-7(9(13)19-8)11(17)16-3-1-6(2-4-16)10(14)15-18/h5-6,18H,1-4H2,(H2,14,15).
What are the key properties of 1-(2,5-dibromothiophene-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide?
1-(2,5-dibromothiophene-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide has a molecular weight of 411.12 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophene-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide is sourced from PubChem (CID 107965214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).