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

Name: (E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₇ClN₂OS — CID 131668133

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 CID	131668133
Molecular Formula	C₁₁H₁₇ClN₂OS
Molecular Weight	260.79 g/mol
Exact Mass	260.08
IUPAC Name	(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride
SMILES	CNCCCNC(=O)/C=C/c1cccs1.Cl
InChI	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+;
InChIKey	DJRKTVAQIKBFFI-IPZCTEOASA-N
XLogP	1.91
TPSA	41.13 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	6
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	260.79
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

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).

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Sources

PubChem CID 131668133 — identifiers, structure, computed properties (public domain)

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