5-bromo-N-(3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide

C12H17BrN2OS — CID 60735543

IUPAC5-bromo-N-(3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide
SMILESO=C(NCCCN1CCCC1)c1csc(Br)c1
InChIInChI=1S/C12H17BrN2OS/c13-11-8-10(9-17-11)12(16)14-4-3-7-15-5-1-2-6-15/h8-9H,1-7H2,(H,14,16)
InChIKeyUHEFXJVDRFOMFY-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.73
Rot. Bonds5

About 5-bromo-N-(3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide

5-bromo-N-(3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide (PubChem CID 60735543) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is 5-bromo-N-(3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide
PubChem CID60735543
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name5-bromo-N-(3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide
SMILESO=C(NCCCN1CCCC1)c1csc(Br)c1
InChIInChI=1S/C12H17BrN2OS/c13-11-8-10(9-17-11)12(16)14-4-3-7-15-5-1-2-6-15/h8-9H,1-7H2,(H,14,16)
InChIKeyUHEFXJVDRFOMFY-UHFFFAOYSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide
CID 107980133
5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide
CID 61061664
5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide
CID 54907003
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 142245309
5-bromo-N-(6-chlorohexyl)thiophene-3-carboxamide
CID 107966467
3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 103841452
4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 115769516
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 103753970
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95166108
5-hydroxy-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 55258279
methyl 6-[(5-bromothiophene-3-carbonyl)amino]hexanoate
CID 43423629

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide (CID 60735543) is 5-bromo-N-(3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide is O=C(NCCCN1CCCC1)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide?
The InChIKey is UHEFXJVDRFOMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c13-11-8-10(9-17-11)12(16)14-4-3-7-15-5-1-2-6-15/h8-9H,1-7H2,(H,14,16).
What are the key properties of 5-bromo-N-(3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide?
5-bromo-N-(3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide has a molecular weight of 317.25 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide is sourced from PubChem (CID 60735543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).