5-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]thiophene-3-carboxamide

C13H19N3O3S — CID 115735562

IUPAC5-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNCCC(=O)N2CCOCC2)c1
InChIInChI=1S/C13H19N3O3S/c14-13(18)10-7-11(20-9-10)8-15-2-1-12(17)16-3-5-19-6-4-16/h7,9,15H,1-6,8H2,(H2,14,18)
InChIKeyBVCFEPJLVPIESJ-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.19
Rot. Bonds6

About 5-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]thiophene-3-carboxamide

5-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]thiophene-3-carboxamide (PubChem CID 115735562) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]thiophene-3-carboxamide
PubChem CID115735562
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name5-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNCCC(=O)N2CCOCC2)c1
InChIInChI=1S/C13H19N3O3S/c14-13(18)10-7-11(20-9-10)8-15-2-1-12(17)16-3-5-19-6-4-16/h7,9,15H,1-6,8H2,(H2,14,18)
InChIKeyBVCFEPJLVPIESJ-UHFFFAOYSA-N
XLogP0.19
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]thiophene-3-carboxamide (CID 115735562) is 5-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]thiophene-3-carboxamide is NC(=O)c1csc(CNCCC(=O)N2CCOCC2)c1.
What is the InChIKey of 5-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]thiophene-3-carboxamide?
The InChIKey is BVCFEPJLVPIESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c14-13(18)10-7-11(20-9-10)8-15-2-1-12(17)16-3-5-19-6-4-16/h7,9,15H,1-6,8H2,(H2,14,18).
What are the key properties of 5-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]thiophene-3-carboxamide?
5-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]thiophene-3-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 115735562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).