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

C12H16N2OS2 — CID 5201242

IUPACN-(2-methylpiperidine-1-carbothioyl)thiophene-2-carboxamide
SMILESCC1CCCCN1C(=S)NC(=O)c1cccs1
InChIInChI=1S/C12H16N2OS2/c1-9-5-2-3-7-14(9)12(16)13-11(15)10-6-4-8-17-10/h4,6,8-9H,2-3,5,7H2,1H3,(H,13,15,16)
InChIKeyMMKGJVJYGQNASQ-UHFFFAOYSA-N
MW268.41 g/mol
LogP2.64
Rot. Bonds1

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

N-(2-methylpiperidine-1-carbothioyl)thiophene-2-carboxamide (PubChem CID 5201242) has the molecular formula C12H16N2OS2 and a molecular weight of 268.41 g/mol. Its IUPAC name is N-(2-methylpiperidine-1-carbothioyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpiperidine-1-carbothioyl)thiophene-2-carboxamide
PubChem CID5201242
Molecular FormulaC12H16N2OS2
Molecular Weight268.41 g/mol
Exact Mass268.07
IUPAC NameN-(2-methylpiperidine-1-carbothioyl)thiophene-2-carboxamide
SMILESCC1CCCCN1C(=S)NC(=O)c1cccs1
InChIInChI=1S/C12H16N2OS2/c1-9-5-2-3-7-14(9)12(16)13-11(15)10-6-4-8-17-10/h4,6,8-9H,2-3,5,7H2,1H3,(H,13,15,16)
InChIKeyMMKGJVJYGQNASQ-UHFFFAOYSA-N
XLogP2.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 52.64
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

(2-methylpiperidin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 17224089
N-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]thiophene-2-carboxamide
CID 2381843
N-[4-[(2-methylazepane-1-carbothioyl)amino]phenyl]acetamide
CID 78962641
N-[(thiophene-2-carbonylamino)carbamothioyl]cyclohexanecarboxamide
CID 4507493
N-(4-ethylpiperazine-1-carbothioyl)thiophene-2-carboxamide
CID 801818
(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-thiophen-2-ylmethanone
CID 78992376
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]thiophene-2-carboxamide
CID 100803273
N-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioyl]thiophene-2-carboxamide
CID 98289115
(2R)-1-[2-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxylic acid
CID 79035200
methyl 2-[3-oxo-1-(thiophene-2-carbonylcarbamothioyl)piperazin-2-yl]acetate
CID 2983718
cyclohexyl 2-[3-oxo-1-(thiophene-2-carbonylcarbamothioyl)piperazin-2-yl]acetate
CID 4946188
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 78795052

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidine-1-carbothioyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-methylpiperidine-1-carbothioyl)thiophene-2-carboxamide (CID 5201242) is N-(2-methylpiperidine-1-carbothioyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-methylpiperidine-1-carbothioyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-methylpiperidine-1-carbothioyl)thiophene-2-carboxamide is CC1CCCCN1C(=S)NC(=O)c1cccs1.
What is the InChIKey of N-(2-methylpiperidine-1-carbothioyl)thiophene-2-carboxamide?
The InChIKey is MMKGJVJYGQNASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS2/c1-9-5-2-3-7-14(9)12(16)13-11(15)10-6-4-8-17-10/h4,6,8-9H,2-3,5,7H2,1H3,(H,13,15,16).
What are the key properties of N-(2-methylpiperidine-1-carbothioyl)thiophene-2-carboxamide?
N-(2-methylpiperidine-1-carbothioyl)thiophene-2-carboxamide has a molecular weight of 268.41 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidine-1-carbothioyl)thiophene-2-carboxamide is sourced from PubChem (CID 5201242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).