(2R)-N-(3,5-difluorophenyl)-2-methylpiperidine-1-carbothioamide

C13H16F2N2S — CID 7342635

IUPAC(2R)-N-(3,5-difluorophenyl)-2-methylpiperidine-1-carbothioamide
SMILESC[C@@H]1CCCCN1C(=S)Nc1cc(F)cc(F)c1
InChIInChI=1S/C13H16F2N2S/c1-9-4-2-3-5-17(9)13(18)16-12-7-10(14)6-11(15)8-12/h6-9H,2-5H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyQVGMLWOHNQEHOT-SECBINFHSA-N
MW270.35 g/mol
LogP3.54
Rot. Bonds1

About (2R)-N-(3,5-difluorophenyl)-2-methylpiperidine-1-carbothioamide

(2R)-N-(3,5-difluorophenyl)-2-methylpiperidine-1-carbothioamide (PubChem CID 7342635) has the molecular formula C13H16F2N2S and a molecular weight of 270.35 g/mol. Its IUPAC name is (2R)-N-(3,5-difluorophenyl)-2-methylpiperidine-1-carbothioamide.

Molecular Properties

Compound Name(2R)-N-(3,5-difluorophenyl)-2-methylpiperidine-1-carbothioamide
PubChem CID7342635
Molecular FormulaC13H16F2N2S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name(2R)-N-(3,5-difluorophenyl)-2-methylpiperidine-1-carbothioamide
SMILESC[C@@H]1CCCCN1C(=S)Nc1cc(F)cc(F)c1
InChIInChI=1S/C13H16F2N2S/c1-9-4-2-3-5-17(9)13(18)16-12-7-10(14)6-11(15)8-12/h6-9H,2-5H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyQVGMLWOHNQEHOT-SECBINFHSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-N-(3,5-difluorophenyl)-2-methylpiperidine-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

(2S)-N-(3,5-difluorophenyl)-2-methylpiperidine-1-carbothioamide
CID 7342636
N-(3,5-dimethylphenyl)-2-methylazepane-1-carbothioamide
CID 115389302
(2R)-2-methyl-N-(4-methylphenyl)piperidine-1-carbothioamide
CID 8616214
N-[4-[(2-methylazepane-1-carbothioyl)amino]phenyl]acetamide
CID 78962641
N-(3,4-dimethylphenyl)-2-methylazepane-1-carbothioamide
CID 115389300
N-(4-chlorophenyl)-2-methylazepane-1-carbothioamide
CID 78962558
(3R)-N-(3,5-difluorophenyl)-3-methylpiperidine-1-carbothioamide
CID 27460717
N-[(4-fluorophenyl)methyl]-2-methylpiperidine-1-carbothioamide
CID 17380928
N-(5-chloro-2-methylphenyl)-2-methylpiperidine-1-carbothioamide
CID 19653949
(2R)-N-[4-(ethylsulfamoyl)phenyl]-2-methylpiperidine-1-carbothioamide
CID 27518485
N-cyclopropyl-2-methylpiperidine-1-carbothioamide
CID 19653964
[3-fluoro-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]boronic acid
CID 99738102

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,5-difluorophenyl)-2-methylpiperidine-1-carbothioamide?
The IUPAC name of (2R)-N-(3,5-difluorophenyl)-2-methylpiperidine-1-carbothioamide (CID 7342635) is (2R)-N-(3,5-difluorophenyl)-2-methylpiperidine-1-carbothioamide.
What is the SMILES notation for (2R)-N-(3,5-difluorophenyl)-2-methylpiperidine-1-carbothioamide?
The canonical SMILES for (2R)-N-(3,5-difluorophenyl)-2-methylpiperidine-1-carbothioamide is C[C@@H]1CCCCN1C(=S)Nc1cc(F)cc(F)c1.
What is the InChIKey of (2R)-N-(3,5-difluorophenyl)-2-methylpiperidine-1-carbothioamide?
The InChIKey is QVGMLWOHNQEHOT-SECBINFHSA-N. The full InChI is InChI=1S/C13H16F2N2S/c1-9-4-2-3-5-17(9)13(18)16-12-7-10(14)6-11(15)8-12/h6-9H,2-5H2,1H3,(H,16,18)/t9-/m1/s1.
What are the key properties of (2R)-N-(3,5-difluorophenyl)-2-methylpiperidine-1-carbothioamide?
(2R)-N-(3,5-difluorophenyl)-2-methylpiperidine-1-carbothioamide has a molecular weight of 270.35 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,5-difluorophenyl)-2-methylpiperidine-1-carbothioamide is sourced from PubChem (CID 7342635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).