(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide

C11H16N2OS — CID 43600802

IUPAC(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide
SMILESCNCCCNC(=O)/C=C/c1cccs1
InChIInChI=1S/C11H16N2OS/c1-12-7-3-8-13-11(14)6-5-10-4-2-9-15-10/h2,4-6,9,12H,3,7-8H2,1H3,(H,13,14)/b6-5+
InChIKeyNQKWXBJGZHHURS-AATRIKPKSA-N
MW224.33 g/mol
LogP1.49
Rot. Bonds6

About (E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 43600802) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is (E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID43600802
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide
SMILESCNCCCNC(=O)/C=C/c1cccs1
InChIInChI=1S/C11H16N2OS/c1-12-7-3-8-13-11(14)6-5-10-4-2-9-15-10/h2,4-6,9,12H,3,7-8H2,1H3,(H,13,14)/b6-5+
InChIKeyNQKWXBJGZHHURS-AATRIKPKSA-N
XLogP1.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide (CID 43600802) is (E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide is CNCCCNC(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is NQKWXBJGZHHURS-AATRIKPKSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-12-7-3-8-13-11(14)6-5-10-4-2-9-15-10/h2,4-6,9,12H,3,7-8H2,1H3,(H,13,14)/b6-5+.
What are the key properties of (E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 224.33 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 43600802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).