(Z,2Z)-2-(1-aminoethylidene)-N-(thiophen-2-ylmethyl)hex-3-enamide

C13H18N2OS — CID 89148145

IUPAC(Z,2Z)-2-(1-aminoethylidene)-N-(thiophen-2-ylmethyl)hex-3-enamide
SMILESCC/C=C\C(C(=O)NCc1cccs1)=C(/C)N
InChIInChI=1S/C13H18N2OS/c1-3-4-7-12(10(2)14)13(16)15-9-11-6-5-8-17-11/h4-8H,3,9,14H2,1-2H3,(H,15,16)/b7-4-,12-10-
InChIKeyZYYKZZGMPIJWCX-BXOIZCENSA-N
MW250.37 g/mol
LogP2.56
Rot. Bonds5

About (Z,2Z)-2-(1-aminoethylidene)-N-(thiophen-2-ylmethyl)hex-3-enamide

(Z,2Z)-2-(1-aminoethylidene)-N-(thiophen-2-ylmethyl)hex-3-enamide (PubChem CID 89148145) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is (Z,2Z)-2-(1-aminoethylidene)-N-(thiophen-2-ylmethyl)hex-3-enamide.

Molecular Properties

Compound Name(Z,2Z)-2-(1-aminoethylidene)-N-(thiophen-2-ylmethyl)hex-3-enamide
PubChem CID89148145
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name(Z,2Z)-2-(1-aminoethylidene)-N-(thiophen-2-ylmethyl)hex-3-enamide
SMILESCC/C=C\C(C(=O)NCc1cccs1)=C(/C)N
InChIInChI=1S/C13H18N2OS/c1-3-4-7-12(10(2)14)13(16)15-9-11-6-5-8-17-11/h4-8H,3,9,14H2,1-2H3,(H,15,16)/b7-4-,12-10-
InChIKeyZYYKZZGMPIJWCX-BXOIZCENSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2Z)-2-(1-aminoethylidene)-N-(thiophen-2-ylmethyl)hex-3-enamide?
The IUPAC name of (Z,2Z)-2-(1-aminoethylidene)-N-(thiophen-2-ylmethyl)hex-3-enamide (CID 89148145) is (Z,2Z)-2-(1-aminoethylidene)-N-(thiophen-2-ylmethyl)hex-3-enamide.
What is the SMILES notation for (Z,2Z)-2-(1-aminoethylidene)-N-(thiophen-2-ylmethyl)hex-3-enamide?
The canonical SMILES for (Z,2Z)-2-(1-aminoethylidene)-N-(thiophen-2-ylmethyl)hex-3-enamide is CC/C=C\C(C(=O)NCc1cccs1)=C(/C)N.
What is the InChIKey of (Z,2Z)-2-(1-aminoethylidene)-N-(thiophen-2-ylmethyl)hex-3-enamide?
The InChIKey is ZYYKZZGMPIJWCX-BXOIZCENSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-3-4-7-12(10(2)14)13(16)15-9-11-6-5-8-17-11/h4-8H,3,9,14H2,1-2H3,(H,15,16)/b7-4-,12-10-.
What are the key properties of (Z,2Z)-2-(1-aminoethylidene)-N-(thiophen-2-ylmethyl)hex-3-enamide?
(Z,2Z)-2-(1-aminoethylidene)-N-(thiophen-2-ylmethyl)hex-3-enamide has a molecular weight of 250.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z)-2-(1-aminoethylidene)-N-(thiophen-2-ylmethyl)hex-3-enamide is sourced from PubChem (CID 89148145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).