(2R)-2-methyl-N-(4-methylphenyl)piperidine-1-carbothioamide

C14H20N2S — CID 8616214

IUPAC(2R)-2-methyl-N-(4-methylphenyl)piperidine-1-carbothioamide
SMILESCc1ccc(NC(=S)N2CCCC[C@H]2C)cc1
InChIInChI=1S/C14H20N2S/c1-11-6-8-13(9-7-11)15-14(17)16-10-4-3-5-12(16)2/h6-9,12H,3-5,10H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyFJHJOOWDBSWQDV-GFCCVEGCSA-N
MW248.39 g/mol
LogP3.57
Rot. Bonds1

About (2R)-2-methyl-N-(4-methylphenyl)piperidine-1-carbothioamide

(2R)-2-methyl-N-(4-methylphenyl)piperidine-1-carbothioamide (PubChem CID 8616214) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is (2R)-2-methyl-N-(4-methylphenyl)piperidine-1-carbothioamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-(4-methylphenyl)piperidine-1-carbothioamide
PubChem CID8616214
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name(2R)-2-methyl-N-(4-methylphenyl)piperidine-1-carbothioamide
SMILESCc1ccc(NC(=S)N2CCCC[C@H]2C)cc1
InChIInChI=1S/C14H20N2S/c1-11-6-8-13(9-7-11)15-14(17)16-10-4-3-5-12(16)2/h6-9,12H,3-5,10H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyFJHJOOWDBSWQDV-GFCCVEGCSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-2-methyl-N-(4-methylphenyl)piperidine-1-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(2-methylazepane-1-carbothioyl)amino]phenyl]acetamide
CID 78962641
N-(4-chlorophenyl)-2-methylazepane-1-carbothioamide
CID 78962558
N-(3,5-dimethylphenyl)-2-methylazepane-1-carbothioamide
CID 115389302
N-(3,4-dimethylphenyl)-2-methylazepane-1-carbothioamide
CID 115389300
(4aS,8aR)-N-(4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbothioamide
CID 8657632
(4aR,8aR)-N-(4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbothioamide
CID 8657629
(2R)-N-(3,5-difluorophenyl)-2-methylpiperidine-1-carbothioamide
CID 7342635
(2S)-N-(3,5-difluorophenyl)-2-methylpiperidine-1-carbothioamide
CID 7342636
(2R)-N-[4-(ethylsulfamoyl)phenyl]-2-methylpiperidine-1-carbothioamide
CID 27518485
1-(4-methylphenyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]thiourea
CID 27522605
N-(5-chloro-2-methylphenyl)-2-methylpiperidine-1-carbothioamide
CID 19653949
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-(4-methylphenyl)piperidine-1-carbothioamide?
The IUPAC name of (2R)-2-methyl-N-(4-methylphenyl)piperidine-1-carbothioamide (CID 8616214) is (2R)-2-methyl-N-(4-methylphenyl)piperidine-1-carbothioamide.
What is the SMILES notation for (2R)-2-methyl-N-(4-methylphenyl)piperidine-1-carbothioamide?
The canonical SMILES for (2R)-2-methyl-N-(4-methylphenyl)piperidine-1-carbothioamide is Cc1ccc(NC(=S)N2CCCC[C@H]2C)cc1.
What is the InChIKey of (2R)-2-methyl-N-(4-methylphenyl)piperidine-1-carbothioamide?
The InChIKey is FJHJOOWDBSWQDV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2S/c1-11-6-8-13(9-7-11)15-14(17)16-10-4-3-5-12(16)2/h6-9,12H,3-5,10H2,1-2H3,(H,15,17)/t12-/m1/s1.
What are the key properties of (2R)-2-methyl-N-(4-methylphenyl)piperidine-1-carbothioamide?
(2R)-2-methyl-N-(4-methylphenyl)piperidine-1-carbothioamide has a molecular weight of 248.39 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-(4-methylphenyl)piperidine-1-carbothioamide is sourced from PubChem (CID 8616214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).