1-(5-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide

C11H14BrN3O2S — CID 77041584

IUPAC1-(5-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(C(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C11H14BrN3O2S/c12-9-4-3-8(18-9)11(16)15-5-1-2-7(6-15)10(13)14-17/h3-4,7,17H,1-2,5-6H2,(H2,13,14)
InChIKeyVUNFQOCATSROAY-UHFFFAOYSA-N
MW332.22 g/mol
LogP2.11
Rot. Bonds2

About 1-(5-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide

1-(5-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide (PubChem CID 77041584) has the molecular formula C11H14BrN3O2S and a molecular weight of 332.22 g/mol. Its IUPAC name is 1-(5-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide.

Molecular Properties

Compound Name1-(5-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
PubChem CID77041584
Molecular FormulaC11H14BrN3O2S
Molecular Weight332.22 g/mol
Exact Mass331.00
IUPAC Name1-(5-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(C(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C11H14BrN3O2S/c12-9-4-3-8(18-9)11(16)15-5-1-2-7(6-15)10(13)14-17/h3-4,7,17H,1-2,5-6H2,(H2,13,14)
InChIKeyVUNFQOCATSROAY-UHFFFAOYSA-N
XLogP2.11
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.22
LogP ≤ 52.11
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-(4,5-dibromothiophene-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
CID 80538896
1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041850
1-(2-bromo-5-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 81117704
1-(4-bromo-2-chlorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041998
1-(3-bromopyridine-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
CID 107525417
N'-hydroxy-1-(piperidine-1-carbonyl)piperidine-3-carboximidamide
CID 79156002
(5-bromothiophen-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61206369
1-(3,4-dimethylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041489
1-(5-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041378
1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 18072986
1-(5-bromothiophen-2-yl)-2-piperidin-1-ylethane-1,2-dione
CID 82124728
N'-hydroxy-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboximidamide
CID 77041745

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide?
The IUPAC name of 1-(5-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide (CID 77041584) is 1-(5-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide.
What is the SMILES notation for 1-(5-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide?
The canonical SMILES for 1-(5-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide is NC(=NO)C1CCCN(C(=O)c2ccc(Br)s2)C1.
What is the InChIKey of 1-(5-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide?
The InChIKey is VUNFQOCATSROAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2S/c12-9-4-3-8(18-9)11(16)15-5-1-2-7(6-15)10(13)14-17/h3-4,7,17H,1-2,5-6H2,(H2,13,14).
What are the key properties of 1-(5-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide?
1-(5-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide has a molecular weight of 332.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide is sourced from PubChem (CID 77041584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).