5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide

C13H19BrN2OS — CID 61061664

IUPAC5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide
SMILESCC(CNC(=O)c1csc(Br)c1)CN1CCCC1
InChIInChI=1S/C13H19BrN2OS/c1-10(8-16-4-2-3-5-16)7-15-13(17)11-6-12(14)18-9-11/h6,9-10H,2-5,7-8H2,1H3,(H,15,17)
InChIKeyWMGQVNSZXUQHPI-UHFFFAOYSA-N
MW331.28 g/mol
LogP2.97
Rot. Bonds5

About 5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide

5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide (PubChem CID 61061664) has the molecular formula C13H19BrN2OS and a molecular weight of 331.28 g/mol. Its IUPAC name is 5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide
PubChem CID61061664
Molecular FormulaC13H19BrN2OS
Molecular Weight331.28 g/mol
Exact Mass330.04
IUPAC Name5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide
SMILESCC(CNC(=O)c1csc(Br)c1)CN1CCCC1
InChIInChI=1S/C13H19BrN2OS/c1-10(8-16-4-2-3-5-16)7-15-13(17)11-6-12(14)18-9-11/h6,9-10H,2-5,7-8H2,1H3,(H,15,17)
InChIKeyWMGQVNSZXUQHPI-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide
CID 54907003
3,5-dihydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 103892120
5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide
CID 43418201
3-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62992034
3-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 55150022
4-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 81295079
3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 107999448
5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide
CID 78965929
2-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)furan-3-carboxamide
CID 106853640
5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 65309537
(2S)-3-[(5-bromothiophene-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833350
2-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide
CID 61292554

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide (CID 61061664) is 5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide is CC(CNC(=O)c1csc(Br)c1)CN1CCCC1.
What is the InChIKey of 5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide?
The InChIKey is WMGQVNSZXUQHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS/c1-10(8-16-4-2-3-5-16)7-15-13(17)11-6-12(14)18-9-11/h6,9-10H,2-5,7-8H2,1H3,(H,15,17).
What are the key properties of 5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide?
5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide has a molecular weight of 331.28 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide is sourced from PubChem (CID 61061664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).