5-chloro-N-[(1-propylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide

C13H19ClN2OS — CID 58748265

IUPAC5-chloro-N-[(1-propylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
SMILESCCCN1CCC(CNC(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C13H19ClN2OS/c1-2-6-16-7-5-10(9-16)8-15-13(17)11-3-4-12(14)18-11/h3-4,10H,2,5-9H2,1H3,(H,15,17)
InChIKeyGOGQELHUJULHKU-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.86
Rot. Bonds5

About 5-chloro-N-[(1-propylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide

5-chloro-N-[(1-propylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 58748265) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 5-chloro-N-[(1-propylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1-propylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
PubChem CID58748265
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name5-chloro-N-[(1-propylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
SMILESCCCN1CCC(CNC(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C13H19ClN2OS/c1-2-6-16-7-5-10(9-16)8-15-13(17)11-3-4-12(14)18-11/h3-4,10H,2,5-9H2,1H3,(H,15,17)
InChIKeyGOGQELHUJULHKU-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-propylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1-propylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide (CID 58748265) is 5-chloro-N-[(1-propylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1-propylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1-propylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide is CCCN1CCC(CNC(=O)c2ccc(Cl)s2)C1.
What is the InChIKey of 5-chloro-N-[(1-propylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is GOGQELHUJULHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-2-6-16-7-5-10(9-16)8-15-13(17)11-3-4-12(14)18-11/h3-4,10H,2,5-9H2,1H3,(H,15,17).
What are the key properties of 5-chloro-N-[(1-propylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide?
5-chloro-N-[(1-propylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 286.83 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-propylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 58748265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).