N-benzyl-2-methylpiperidine-1-carbothioamide

C14H20N2S — CID 4032139

IUPACN-benzyl-2-methylpiperidine-1-carbothioamide
SMILESCC1CCCCN1C(=S)NCc1ccccc1
InChIInChI=1S/C14H20N2S/c1-12-7-5-6-10-16(12)14(17)15-11-13-8-3-2-4-9-13/h2-4,8-9,12H,5-7,10-11H2,1H3,(H,15,17)
InChIKeyNVFZAIMPKZOPIH-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.94
Rot. Bonds2

About N-benzyl-2-methylpiperidine-1-carbothioamide

N-benzyl-2-methylpiperidine-1-carbothioamide (PubChem CID 4032139) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-benzyl-2-methylpiperidine-1-carbothioamide.

Molecular Properties

Compound NameN-benzyl-2-methylpiperidine-1-carbothioamide
PubChem CID4032139
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC NameN-benzyl-2-methylpiperidine-1-carbothioamide
SMILESCC1CCCCN1C(=S)NCc1ccccc1
InChIInChI=1S/C14H20N2S/c1-12-7-5-6-10-16(12)14(17)15-11-13-8-3-2-4-9-13/h2-4,8-9,12H,5-7,10-11H2,1H3,(H,15,17)
InChIKeyNVFZAIMPKZOPIH-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
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-[(4-fluorophenyl)methyl]-2-methylpiperidine-1-carbothioamide
CID 17380928
(2S)-1-N,4-N-dibenzyl-2-methylpiperazine-1,4-dicarbothioamide
CID 27235619
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-methylpiperidine-1-carbothioamide
CID 7941796
N-benzyl-4-methylpiperidine-1-carbothioamide
CID 19653857
2-methyl-N-(2-methylpropyl)piperidine-1-carbothioamide
CID 17276176
(4aR,8aS)-N-benzyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbothioamide
CID 8724671
(2S)-N-benzyl-4-methyl-2-phenylpiperazine-1-carbothioamide
CID 9284271
N-[(4-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 108899463
N-benzyl-2,6-dimethylpiperidine-1-carboxamide
CID 110755036
N-[(4-methylphenyl)methyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108518109
N-benzylcyclopentanecarboxamide
CID 835634
(2S)-N-benzyl-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbothioamide
CID 9283370

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methylpiperidine-1-carbothioamide?
The IUPAC name of N-benzyl-2-methylpiperidine-1-carbothioamide (CID 4032139) is N-benzyl-2-methylpiperidine-1-carbothioamide.
What is the SMILES notation for N-benzyl-2-methylpiperidine-1-carbothioamide?
The canonical SMILES for N-benzyl-2-methylpiperidine-1-carbothioamide is CC1CCCCN1C(=S)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-methylpiperidine-1-carbothioamide?
The InChIKey is NVFZAIMPKZOPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-12-7-5-6-10-16(12)14(17)15-11-13-8-3-2-4-9-13/h2-4,8-9,12H,5-7,10-11H2,1H3,(H,15,17).
What are the key properties of N-benzyl-2-methylpiperidine-1-carbothioamide?
N-benzyl-2-methylpiperidine-1-carbothioamide has a molecular weight of 248.39 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methylpiperidine-1-carbothioamide is sourced from PubChem (CID 4032139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).