(E)-3-phenyl-N-(piperidine-1-carbothioyl)prop-2-enamide

C15H18N2OS — CID 836098

IUPAC(E)-3-phenyl-N-(piperidine-1-carbothioyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC(=S)N1CCCCC1
InChIInChI=1S/C15H18N2OS/c18-14(10-9-13-7-3-1-4-8-13)16-15(19)17-11-5-2-6-12-17/h1,3-4,7-10H,2,5-6,11-12H2,(H,16,18,19)/b10-9+
InChIKeyIZGUCTPMKZDUQF-MDZDMXLPSA-N
MW274.39 g/mol
LogP2.59
Rot. Bonds2

About (E)-3-phenyl-N-(piperidine-1-carbothioyl)prop-2-enamide

(E)-3-phenyl-N-(piperidine-1-carbothioyl)prop-2-enamide (PubChem CID 836098) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is (E)-3-phenyl-N-(piperidine-1-carbothioyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-(piperidine-1-carbothioyl)prop-2-enamide
PubChem CID836098
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name(E)-3-phenyl-N-(piperidine-1-carbothioyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC(=S)N1CCCCC1
InChIInChI=1S/C15H18N2OS/c18-14(10-9-13-7-3-1-4-8-13)16-15(19)17-11-5-2-6-12-17/h1,3-4,7-10H,2,5-6,11-12H2,(H,16,18,19)/b10-9+
InChIKeyIZGUCTPMKZDUQF-MDZDMXLPSA-N
XLogP2.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-(piperidine-1-carbothioyl)prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-(piperidine-1-carbothioyl)prop-2-enamide (CID 836098) is (E)-3-phenyl-N-(piperidine-1-carbothioyl)prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-(piperidine-1-carbothioyl)prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-(piperidine-1-carbothioyl)prop-2-enamide is O=C(/C=C/c1ccccc1)NC(=S)N1CCCCC1.
What is the InChIKey of (E)-3-phenyl-N-(piperidine-1-carbothioyl)prop-2-enamide?
The InChIKey is IZGUCTPMKZDUQF-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H18N2OS/c18-14(10-9-13-7-3-1-4-8-13)16-15(19)17-11-5-2-6-12-17/h1,3-4,7-10H,2,5-6,11-12H2,(H,16,18,19)/b10-9+.
What are the key properties of (E)-3-phenyl-N-(piperidine-1-carbothioyl)prop-2-enamide?
(E)-3-phenyl-N-(piperidine-1-carbothioyl)prop-2-enamide has a molecular weight of 274.39 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-(piperidine-1-carbothioyl)prop-2-enamide is sourced from PubChem (CID 836098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).