N-(3-aminopropyl)-5-bromothiophene-3-carboxamide

C8H11BrN2OS — CID 61249682

IUPACN-(3-aminopropyl)-5-bromothiophene-3-carboxamide
SMILESNCCCNC(=O)c1csc(Br)c1
InChIInChI=1S/C8H11BrN2OS/c9-7-4-6(5-13-7)8(12)11-3-1-2-10/h4-5H,1-3,10H2,(H,11,12)
InChIKeyLJAIJSKRYCCSOI-UHFFFAOYSA-N
MW263.16 g/mol
LogP1.59
Rot. Bonds4

About N-(3-aminopropyl)-5-bromothiophene-3-carboxamide

N-(3-aminopropyl)-5-bromothiophene-3-carboxamide (PubChem CID 61249682) has the molecular formula C8H11BrN2OS and a molecular weight of 263.16 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-bromothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-bromothiophene-3-carboxamide
PubChem CID61249682
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC NameN-(3-aminopropyl)-5-bromothiophene-3-carboxamide
SMILESNCCCNC(=O)c1csc(Br)c1
InChIInChI=1S/C8H11BrN2OS/c9-7-4-6(5-13-7)8(12)11-3-1-2-10/h4-5H,1-3,10H2,(H,11,12)
InChIKeyLJAIJSKRYCCSOI-UHFFFAOYSA-N
XLogP1.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(6-chlorohexyl)thiophene-3-carboxamide
CID 107966467
5-bromo-N-[3-(ethylamino)propyl]thiophene-3-carboxamide
CID 103805592
N-(3-aminopropyl)-5-(trifluoromethyl)thiophene-3-carboxamide
CID 110834051
5-bromo-N-(3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide
CID 60735543
methyl 6-[(5-bromothiophene-3-carbonyl)amino]hexanoate
CID 43423629
5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide
CID 60964591
5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide
CID 107966140
5-bromo-N-[2-(cyclopropylamino)ethyl]thiophene-3-carboxamide
CID 103806386
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromothiophene-3-carboxamide
CID 107143415
4-[(5-bromothiophene-3-carbonyl)amino]-2-methylbutanoic acid
CID 80538251
5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide
CID 107963728
5-bromo-N-(2-bromoprop-2-enyl)thiophene-3-carboxamide
CID 115594394

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-bromothiophene-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-5-bromothiophene-3-carboxamide (CID 61249682) is N-(3-aminopropyl)-5-bromothiophene-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-5-bromothiophene-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-5-bromothiophene-3-carboxamide is NCCCNC(=O)c1csc(Br)c1.
What is the InChIKey of N-(3-aminopropyl)-5-bromothiophene-3-carboxamide?
The InChIKey is LJAIJSKRYCCSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c9-7-4-6(5-13-7)8(12)11-3-1-2-10/h4-5H,1-3,10H2,(H,11,12).
What are the key properties of N-(3-aminopropyl)-5-bromothiophene-3-carboxamide?
N-(3-aminopropyl)-5-bromothiophene-3-carboxamide has a molecular weight of 263.16 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-bromothiophene-3-carboxamide is sourced from PubChem (CID 61249682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).