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

C11H14N2OS2 — CID 833240

IUPACN-(piperidine-1-carbothioyl)thiophene-2-carboxamide
SMILESO=C(NC(=S)N1CCCCC1)c1cccs1
InChIInChI=1S/C11H14N2OS2/c14-10(9-5-4-8-16-9)12-11(15)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,12,14,15)
InChIKeyXQLYGFBPEWLSOX-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.25
Rot. Bonds1

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

N-(piperidine-1-carbothioyl)thiophene-2-carboxamide (PubChem CID 833240) has the molecular formula C11H14N2OS2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-(piperidine-1-carbothioyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(piperidine-1-carbothioyl)thiophene-2-carboxamide
PubChem CID833240
Molecular FormulaC11H14N2OS2
Molecular Weight254.38 g/mol
Exact Mass254.05
IUPAC NameN-(piperidine-1-carbothioyl)thiophene-2-carboxamide
SMILESO=C(NC(=S)N1CCCCC1)c1cccs1
InChIInChI=1S/C11H14N2OS2/c14-10(9-5-4-8-16-9)12-11(15)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,12,14,15)
InChIKeyXQLYGFBPEWLSOX-UHFFFAOYSA-N
XLogP2.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.25
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-(2-methylpiperidine-1-carbothioyl)thiophene-2-carboxamide
CID 5201242
N-[(2-ethyl-1-piperidinyl)-sulfanylidenemethyl]-2-thiophenecarboxamide
CID 2910188
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide
CID 903488
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-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl)thiophene-2-carboxamide
CID 2806357
N-((1,1-dioxidotetrahydrothiophen-3-yl)carbamothioyl)thiophene-2-carboxamide
CID 2908561

Frequently Asked Questions

What is the IUPAC name of N-(piperidine-1-carbothioyl)thiophene-2-carboxamide?
The IUPAC name of N-(piperidine-1-carbothioyl)thiophene-2-carboxamide (CID 833240) is N-(piperidine-1-carbothioyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(piperidine-1-carbothioyl)thiophene-2-carboxamide?
The canonical SMILES for N-(piperidine-1-carbothioyl)thiophene-2-carboxamide is O=C(NC(=S)N1CCCCC1)c1cccs1.
What is the InChIKey of N-(piperidine-1-carbothioyl)thiophene-2-carboxamide?
The InChIKey is XQLYGFBPEWLSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS2/c14-10(9-5-4-8-16-9)12-11(15)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,12,14,15).
What are the key properties of N-(piperidine-1-carbothioyl)thiophene-2-carboxamide?
N-(piperidine-1-carbothioyl)thiophene-2-carboxamide has a molecular weight of 254.38 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidine-1-carbothioyl)thiophene-2-carboxamide is sourced from PubChem (CID 833240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).