5-bromo-N-[3-(dimethylamino)propyl]thiophene-3-carboxamide

C10H15BrN2OS — CID 43424455

IUPAC5-bromo-N-[3-(dimethylamino)propyl]thiophene-3-carboxamide
SMILESCN(C)CCCNC(=O)c1csc(Br)c1
InChIInChI=1S/C10H15BrN2OS/c1-13(2)5-3-4-12-10(14)8-6-9(11)15-7-8/h6-7H,3-5H2,1-2H3,(H,12,14)
InChIKeyOXRJDDVLHOYTLZ-UHFFFAOYSA-N
MW291.21 g/mol
LogP2.19
Rot. Bonds5

About 5-bromo-N-[3-(dimethylamino)propyl]thiophene-3-carboxamide

5-bromo-N-[3-(dimethylamino)propyl]thiophene-3-carboxamide (PubChem CID 43424455) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 5-bromo-N-[3-(dimethylamino)propyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(dimethylamino)propyl]thiophene-3-carboxamide
PubChem CID43424455
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name5-bromo-N-[3-(dimethylamino)propyl]thiophene-3-carboxamide
SMILESCN(C)CCCNC(=O)c1csc(Br)c1
InChIInChI=1S/C10H15BrN2OS/c1-13(2)5-3-4-12-10(14)8-6-9(11)15-7-8/h6-7H,3-5H2,1-2H3,(H,12,14)
InChIKeyOXRJDDVLHOYTLZ-UHFFFAOYSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 52.19
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(dimethylamino)propyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[3-(dimethylamino)propyl]thiophene-3-carboxamide (CID 43424455) is 5-bromo-N-[3-(dimethylamino)propyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(dimethylamino)propyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(dimethylamino)propyl]thiophene-3-carboxamide is CN(C)CCCNC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[3-(dimethylamino)propyl]thiophene-3-carboxamide?
The InChIKey is OXRJDDVLHOYTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-13(2)5-3-4-12-10(14)8-6-9(11)15-7-8/h6-7H,3-5H2,1-2H3,(H,12,14).
What are the key properties of 5-bromo-N-[3-(dimethylamino)propyl]thiophene-3-carboxamide?
5-bromo-N-[3-(dimethylamino)propyl]thiophene-3-carboxamide has a molecular weight of 291.21 g/mol, XLogP of 2.19, 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-(dimethylamino)propyl]thiophene-3-carboxamide is sourced from PubChem (CID 43424455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).