N-benzyl-4-methylpiperidine-1-carbothioamide

C14H20N2S — CID 19653857

IUPACN-benzyl-4-methylpiperidine-1-carbothioamide
SMILESCC1CCN(C(=S)NCc2ccccc2)CC1
InChIInChI=1S/C14H20N2S/c1-12-7-9-16(10-8-12)14(17)15-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,15,17)
InChIKeyICNOOQGLIZQIFC-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.79
Rot. Bonds2

About N-benzyl-4-methylpiperidine-1-carbothioamide

N-benzyl-4-methylpiperidine-1-carbothioamide (PubChem CID 19653857) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-benzyl-4-methylpiperidine-1-carbothioamide.

Molecular Properties

Compound NameN-benzyl-4-methylpiperidine-1-carbothioamide
PubChem CID19653857
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC NameN-benzyl-4-methylpiperidine-1-carbothioamide
SMILESCC1CCN(C(=S)NCc2ccccc2)CC1
InChIInChI=1S/C14H20N2S/c1-12-7-9-16(10-8-12)14(17)15-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,15,17)
InChIKeyICNOOQGLIZQIFC-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
N-benzyl-4-methylimidazolidine-1-carbothioamide
CID 166803860
(2S)-1-N,4-N-dibenzyl-2-methylpiperazine-1,4-dicarbothioamide
CID 27235619
(4aR,8aS)-N-benzyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbothioamide
CID 8724671
4-benzyl-N-[(4-fluorophenyl)methyl]piperidine-1-carbothioamide
CID 17298095
N-benzyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide
CID 10685638
N-benzyl-2-methylpiperidine-1-carbothioamide
CID 4032139
1-(benzylcarbamothioyl)-N-pentylpiperidine-4-carboxamide
CID 43076523
(3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 52505386
N-[(4-fluorophenyl)methyl]-3,3,5-trimethylazepane-1-carbothioamide
CID 44756385
N-benzyl-3-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]propanamide;hydroiodide
CID 111209903
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide
CID 110920492

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methylpiperidine-1-carbothioamide?
The IUPAC name of N-benzyl-4-methylpiperidine-1-carbothioamide (CID 19653857) is N-benzyl-4-methylpiperidine-1-carbothioamide.
What is the SMILES notation for N-benzyl-4-methylpiperidine-1-carbothioamide?
The canonical SMILES for N-benzyl-4-methylpiperidine-1-carbothioamide is CC1CCN(C(=S)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-4-methylpiperidine-1-carbothioamide?
The InChIKey is ICNOOQGLIZQIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-12-7-9-16(10-8-12)14(17)15-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,15,17).
What are the key properties of N-benzyl-4-methylpiperidine-1-carbothioamide?
N-benzyl-4-methylpiperidine-1-carbothioamide has a molecular weight of 248.39 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methylpiperidine-1-carbothioamide is sourced from PubChem (CID 19653857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).