N-(2-ethylpiperidine-1-carbothioyl)thiophene-2-carboxamide

C13H18N2OS2 — CID 2910188

IUPACN-(2-ethylpiperidine-1-carbothioyl)thiophene-2-carboxamide
SMILESCCC1CCCCN1C(=S)NC(=O)c1cccs1
InChIInChI=1S/C13H18N2OS2/c1-2-10-6-3-4-8-15(10)13(17)14-12(16)11-7-5-9-18-11/h5,7,9-10H,2-4,6,8H2,1H3,(H,14,16,17)
InChIKeyOVEHKGROSRNRCP-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.03
Rot. Bonds2

About N-(2-ethylpiperidine-1-carbothioyl)thiophene-2-carboxamide

N-(2-ethylpiperidine-1-carbothioyl)thiophene-2-carboxamide (PubChem CID 2910188) has the molecular formula C13H18N2OS2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-(2-ethylpiperidine-1-carbothioyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylpiperidine-1-carbothioyl)thiophene-2-carboxamide
PubChem CID2910188
Molecular FormulaC13H18N2OS2
Molecular Weight282.43 g/mol
Exact Mass282.09
IUPAC NameN-(2-ethylpiperidine-1-carbothioyl)thiophene-2-carboxamide
SMILESCCC1CCCCN1C(=S)NC(=O)c1cccs1
InChIInChI=1S/C13H18N2OS2/c1-2-10-6-3-4-8-15(10)13(17)14-12(16)11-7-5-9-18-11/h5,7,9-10H,2-4,6,8H2,1H3,(H,14,16,17)
InChIKeyOVEHKGROSRNRCP-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylpiperidine-1-carbothioyl)thiophene-2-carboxamide
CID 829315
N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
N-[benzyl(methyl)carbamothioyl]thiophene-2-carboxamide
CID 833546
Ethyl 1-[(2-thienylcarbonylamino)thioxomethyl]piperidine-4-carboxylate
CID 2886575
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
N-(1-phenylethylcarbamothioyl)thiophene-2-carboxamide
CID 4343285
N-(2-methylpiperidine-1-carbothioyl)thiophene-2-carboxamide
CID 5201242
N-(piperidine-1-carbothioyl)thiophene-2-carboxamide
CID 833240
Thiophene-2-carboxylic acid (4-ethyl-piperazine-1-carbothioyl)-amide
CID 801818
N-(benzylcarbamothioyl)thiophene-2-carboxamide
CID 916889
N-[2-(hydroxymethyl)piperidine-1-carbothioyl]thiophene-2-carboxamide
CID 3261037
N-[(2-methylcyclohexyl)carbamothioyl]thiophene-2-carboxamide
CID 3474248

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpiperidine-1-carbothioyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-ethylpiperidine-1-carbothioyl)thiophene-2-carboxamide (CID 2910188) is N-(2-ethylpiperidine-1-carbothioyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-ethylpiperidine-1-carbothioyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-ethylpiperidine-1-carbothioyl)thiophene-2-carboxamide is CCC1CCCCN1C(=S)NC(=O)c1cccs1.
What is the InChIKey of N-(2-ethylpiperidine-1-carbothioyl)thiophene-2-carboxamide?
The InChIKey is OVEHKGROSRNRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS2/c1-2-10-6-3-4-8-15(10)13(17)14-12(16)11-7-5-9-18-11/h5,7,9-10H,2-4,6,8H2,1H3,(H,14,16,17).
What are the key properties of N-(2-ethylpiperidine-1-carbothioyl)thiophene-2-carboxamide?
N-(2-ethylpiperidine-1-carbothioyl)thiophene-2-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpiperidine-1-carbothioyl)thiophene-2-carboxamide is sourced from PubChem (CID 2910188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).