1-[(E)-2-(5-nitrothiophen-2-yl)-1-thiophen-2-ylethenyl]piperidine

C15H16N2O2S2 — CID 637276

IUPAC1-[(E)-2-(5-nitrothiophen-2-yl)-1-thiophen-2-ylethenyl]piperidine
SMILESO=[N+]([O-])c1ccc(/C=C(\c2cccs2)N2CCCCC2)s1
InChIInChI=1S/C15H16N2O2S2/c18-17(19)15-7-6-12(21-15)11-13(14-5-4-10-20-14)16-8-2-1-3-9-16/h4-7,10-11H,1-3,8-9H2/b13-11+
InChIKeyBUSQPKSBLYDHMZ-ACCUITESSA-N
MW320.44 g/mol
LogP4.70
Rot. Bonds4

About 1-[(E)-2-(5-nitrothiophen-2-yl)-1-thiophen-2-ylethenyl]piperidine

1-[(E)-2-(5-nitrothiophen-2-yl)-1-thiophen-2-ylethenyl]piperidine (PubChem CID 637276) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[(E)-2-(5-nitrothiophen-2-yl)-1-thiophen-2-ylethenyl]piperidine.

Molecular Properties

Compound Name1-[(E)-2-(5-nitrothiophen-2-yl)-1-thiophen-2-ylethenyl]piperidine
PubChem CID637276
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC Name1-[(E)-2-(5-nitrothiophen-2-yl)-1-thiophen-2-ylethenyl]piperidine
SMILESO=[N+]([O-])c1ccc(/C=C(\c2cccs2)N2CCCCC2)s1
InChIInChI=1S/C15H16N2O2S2/c18-17(19)15-7-6-12(21-15)11-13(14-5-4-10-20-14)16-8-2-1-3-9-16/h4-7,10-11H,1-3,8-9H2/b13-11+
InChIKeyBUSQPKSBLYDHMZ-ACCUITESSA-N
XLogP4.70
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(E)-2-(5-nitrothiophen-2-yl)-1-thiophen-2-ylethenyl]piperidine with MolForge

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

Launch Full Analysis

Related Compounds

1-[(5-Nitro-2-thienyl)methyl]azepane
CID 763213
1-[(5-Nitro-2-thienyl)methyl]-4-phenyl-piperazine
CID 127040798
Cambridge id 5261344
CID 2838102
N-ethyl-2-methyl-N-[(5-nitro-2-thienyl)methyl]-2-propen-1-amine
CID 677417
1-[(5-Nitro-2-thienyl)methyl]pyrrolidine
CID 2845949
Cambridge id 5429559
CID 2846065
1-[(E)-1-(5-nitrothiophen-2-yl)hex-1-en-2-yl]pyrrolidine
CID 11119493
1-Methyl-4-[(5-nitro-2-thienyl)methyl]piperazine
CID 677232
1-[5-[5-(5-Nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]piperidine
CID 85975554
N,1-dimethyl-N-[(5-nitro-2-thienyl)methyl]-4-piperidinamine
CID 6456124
1-[(Z)-2-(5-nitro-2-thienyl)-1-(2-thienyl)vinyl]piperidine
CID 643742
(E)-1-[5-[(E)-1-(diethylamino)-2-(5-nitrothiophen-2-yl)ethenyl]thiophen-2-yl]-N,N-diethyl-2-(5-nitrothiophen-2-yl)ethenamine
CID 11114190

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(5-nitrothiophen-2-yl)-1-thiophen-2-ylethenyl]piperidine?
The IUPAC name of 1-[(E)-2-(5-nitrothiophen-2-yl)-1-thiophen-2-ylethenyl]piperidine (CID 637276) is 1-[(E)-2-(5-nitrothiophen-2-yl)-1-thiophen-2-ylethenyl]piperidine.
What is the SMILES notation for 1-[(E)-2-(5-nitrothiophen-2-yl)-1-thiophen-2-ylethenyl]piperidine?
The canonical SMILES for 1-[(E)-2-(5-nitrothiophen-2-yl)-1-thiophen-2-ylethenyl]piperidine is O=[N+]([O-])c1ccc(/C=C(\c2cccs2)N2CCCCC2)s1.
What is the InChIKey of 1-[(E)-2-(5-nitrothiophen-2-yl)-1-thiophen-2-ylethenyl]piperidine?
The InChIKey is BUSQPKSBLYDHMZ-ACCUITESSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c18-17(19)15-7-6-12(21-15)11-13(14-5-4-10-20-14)16-8-2-1-3-9-16/h4-7,10-11H,1-3,8-9H2/b13-11+.
What are the key properties of 1-[(E)-2-(5-nitrothiophen-2-yl)-1-thiophen-2-ylethenyl]piperidine?
1-[(E)-2-(5-nitrothiophen-2-yl)-1-thiophen-2-ylethenyl]piperidine has a molecular weight of 320.44 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(5-nitrothiophen-2-yl)-1-thiophen-2-ylethenyl]piperidine is sourced from PubChem (CID 637276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).