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

C11H17ClN2OS — CID 131668133

IUPAC(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride
SMILESCNCCCNC(=O)/C=C/c1cccs1.Cl
InChIInChI=1S/C11H16N2OS.ClH/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);1H/b6-5+;
InChIKeyDJRKTVAQIKBFFI-IPZCTEOASA-N
MW260.79 g/mol
LogP1.91
Rot. Bonds6

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

(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride (PubChem CID 131668133) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is (E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride.

Molecular Properties

Compound Name(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride
PubChem CID131668133
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride
SMILESCNCCCNC(=O)/C=C/c1cccs1.Cl
InChIInChI=1S/C11H16N2OS.ClH/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);1H/b6-5+;
InChIKeyDJRKTVAQIKBFFI-IPZCTEOASA-N
XLogP1.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 51.91
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'}

Analyze (E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride?
The IUPAC name of (E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride (CID 131668133) is (E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride.
What is the SMILES notation for (E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride?
The canonical SMILES for (E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride is CNCCCNC(=O)/C=C/c1cccs1.Cl.
What is the InChIKey of (E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride?
The InChIKey is DJRKTVAQIKBFFI-IPZCTEOASA-N. The full InChI is InChI=1S/C11H16N2OS.ClH/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);1H/b6-5+;.
What are the key properties of (E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride?
(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride has a molecular weight of 260.79 g/mol, XLogP of 1.91, 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;hydrochloride is sourced from PubChem (CID 131668133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).