3-[(5-formylthiophen-2-yl)-methylamino]-N-methylpropanamide

C10H14N2O2S — CID 106916121

IUPAC3-[(5-formylthiophen-2-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ccc(C=O)s1
InChIInChI=1S/C10H14N2O2S/c1-11-9(14)5-6-12(2)10-4-3-8(7-13)15-10/h3-4,7H,5-6H2,1-2H3,(H,11,14)
InChIKeyFMLXQVBCDCGPBC-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.13
Rot. Bonds5

About 3-[(5-formylthiophen-2-yl)-methylamino]-N-methylpropanamide

3-[(5-formylthiophen-2-yl)-methylamino]-N-methylpropanamide (PubChem CID 106916121) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-[(5-formylthiophen-2-yl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(5-formylthiophen-2-yl)-methylamino]-N-methylpropanamide
PubChem CID106916121
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name3-[(5-formylthiophen-2-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ccc(C=O)s1
InChIInChI=1S/C10H14N2O2S/c1-11-9(14)5-6-12(2)10-4-3-8(7-13)15-10/h3-4,7H,5-6H2,1-2H3,(H,11,14)
InChIKeyFMLXQVBCDCGPBC-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-formylthiophen-2-yl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(5-formylthiophen-2-yl)-methylamino]-N-methylpropanamide (CID 106916121) is 3-[(5-formylthiophen-2-yl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(5-formylthiophen-2-yl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(5-formylthiophen-2-yl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1ccc(C=O)s1.
What is the InChIKey of 3-[(5-formylthiophen-2-yl)-methylamino]-N-methylpropanamide?
The InChIKey is FMLXQVBCDCGPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-11-9(14)5-6-12(2)10-4-3-8(7-13)15-10/h3-4,7H,5-6H2,1-2H3,(H,11,14).
What are the key properties of 3-[(5-formylthiophen-2-yl)-methylamino]-N-methylpropanamide?
3-[(5-formylthiophen-2-yl)-methylamino]-N-methylpropanamide has a molecular weight of 226.30 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-formylthiophen-2-yl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106916121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).