(E)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)-3-thiophen-2-ylprop-2-enamide

C14H18N3O2S+ — CID 2135288

IUPAC(E)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)-3-thiophen-2-ylprop-2-enamide
SMILESN#C/C(=C\c1cccs1)C(=O)NCC[NH+]1CCOCC1
InChIInChI=1S/C14H17N3O2S/c15-11-12(10-13-2-1-9-20-13)14(18)16-3-4-17-5-7-19-8-6-17/h1-2,9-10H,3-8H2,(H,16,18)/p+1/b12-10+
InChIKeyPDNHOFZJPMSZKD-ZRDIBKRKSA-O
MW292.38 g/mol
LogP-0.31
Rot. Bonds5

About (E)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)-3-thiophen-2-ylprop-2-enamide

(E)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 2135288) has the molecular formula C14H18N3O2S+ and a molecular weight of 292.38 g/mol. Its IUPAC name is (E)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID2135288
Molecular FormulaC14H18N3O2S+
Molecular Weight292.38 g/mol
Exact Mass292.11
IUPAC Name(E)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)-3-thiophen-2-ylprop-2-enamide
SMILESN#C/C(=C\c1cccs1)C(=O)NCC[NH+]1CCOCC1
InChIInChI=1S/C14H17N3O2S/c15-11-12(10-13-2-1-9-20-13)14(18)16-3-4-17-5-7-19-8-6-17/h1-2,9-10H,3-8H2,(H,16,18)/p+1/b12-10+
InChIKeyPDNHOFZJPMSZKD-ZRDIBKRKSA-O
XLogP-0.31
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-octyl-3-thiophen-2-ylprop-2-enamide
CID 5109316
(E)-2-cyano-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide
CID 2688672
N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide
CID 6949050
(E)-2-cyano-N-[[(E)-2-cyano-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 10739641
(E)-N-[(4-chlorophenyl)methyl]-2-cyano-3-thiophen-2-ylprop-2-enamide
CID 17373373
(E)-2-cyano-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 2362469
2-cyano-N-naphthalen-1-yl-3-thiophen-2-ylprop-2-enamide
CID 958150
2-cyano-N-(hydroxyiminomethyl)-3-thiophen-2-ylprop-2-enamide
CID 135428328
(E)-2-cyano-N-(3,5-dichlorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 7912255
(E)-2-cyano-N-(2-iodophenyl)-3-thiophen-2-ylprop-2-enamide
CID 19171871
N-(2-morpholin-4-ium-4-ylethyl)-4-thiophen-2-yloxane-4-carboxamide
CID 7243535
(E)-2-cyano-3-thiophen-2-ylprop-2-enoyl chloride
CID 15335281

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)-3-thiophen-2-ylprop-2-enamide (CID 2135288) is (E)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)-3-thiophen-2-ylprop-2-enamide is N#C/C(=C\c1cccs1)C(=O)NCC[NH+]1CCOCC1.
What is the InChIKey of (E)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is PDNHOFZJPMSZKD-ZRDIBKRKSA-O. The full InChI is InChI=1S/C14H17N3O2S/c15-11-12(10-13-2-1-9-20-13)14(18)16-3-4-17-5-7-19-8-6-17/h1-2,9-10H,3-8H2,(H,16,18)/p+1/b12-10+.
What are the key properties of (E)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)-3-thiophen-2-ylprop-2-enamide?
(E)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 292.38 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 2135288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).