N-(2-chlorophenyl)-4-[cyclohexyl(methyl)amino]piperidine-1-carbothioamide

C19H28ClN3S — CID 5216672

IUPACN-(2-chlorophenyl)-4-[cyclohexyl(methyl)amino]piperidine-1-carbothioamide
SMILESCN(C1CCCCC1)C1CCN(C(=S)Nc2ccccc2Cl)CC1
InChIInChI=1S/C19H28ClN3S/c1-22(15-7-3-2-4-8-15)16-11-13-23(14-12-16)19(24)21-18-10-6-5-9-17(18)20/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,21,24)
InChIKeyQNGQMUWRPDNPPL-UHFFFAOYSA-N
MW365.97 g/mol
LogP4.77
Rot. Bonds3

About N-(2-chlorophenyl)-4-[cyclohexyl(methyl)amino]piperidine-1-carbothioamide

N-(2-chlorophenyl)-4-[cyclohexyl(methyl)amino]piperidine-1-carbothioamide (PubChem CID 5216672) has the molecular formula C19H28ClN3S and a molecular weight of 365.97 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[cyclohexyl(methyl)amino]piperidine-1-carbothioamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[cyclohexyl(methyl)amino]piperidine-1-carbothioamide
PubChem CID5216672
Molecular FormulaC19H28ClN3S
Molecular Weight365.97 g/mol
Exact Mass365.17
IUPAC NameN-(2-chlorophenyl)-4-[cyclohexyl(methyl)amino]piperidine-1-carbothioamide
SMILESCN(C1CCCCC1)C1CCN(C(=S)Nc2ccccc2Cl)CC1
InChIInChI=1S/C19H28ClN3S/c1-22(15-7-3-2-4-8-15)16-11-13-23(14-12-16)19(24)21-18-10-6-5-9-17(18)20/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,21,24)
InChIKeyQNGQMUWRPDNPPL-UHFFFAOYSA-N
XLogP4.77
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.97
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-4-[methyl(3-methylbutyl)amino]piperidine-1-carbothioamide
CID 3700546
4-[cycloheptyl(methyl)amino]-N-(2,6-dimethylphenyl)piperidine-1-carbothioamide
CID 4668355
4-[methyl-(2-methylcyclohexyl)amino]-N-(2-methylphenyl)piperidine-1-carbothioamide
CID 4564981
4-[cyclopentyl(methyl)amino]-N-(2,6-dimethylphenyl)piperidine-1-carbothioamide
CID 4119386
N-(2-chlorophenyl)-3-phenylpyrrolidine-1-carbothioamide
CID 5066117
N-(2-chlorophenyl)-4-methyl-1,4-diazepane-1-carbothioamide
CID 23818759
N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-2-methylbenzamide
CID 43814168
N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]adamantane-1-carboxamide
CID 3218721
N-(2,4-dimethylphenyl)-4-[methyl-[(1R,2R)-2-methylcyclohexyl]amino]piperidine-1-carbothioamide
CID 92696986
N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-4-fluorobenzamide
CID 3218714
N-(2-chlorophenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide
CID 17372751
N-(3,5-dimethylphenyl)-4-[methyl-[(1S,2R)-2-methylcyclohexyl]amino]piperidine-1-carbothioamide
CID 92696980

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[cyclohexyl(methyl)amino]piperidine-1-carbothioamide?
The IUPAC name of N-(2-chlorophenyl)-4-[cyclohexyl(methyl)amino]piperidine-1-carbothioamide (CID 5216672) is N-(2-chlorophenyl)-4-[cyclohexyl(methyl)amino]piperidine-1-carbothioamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[cyclohexyl(methyl)amino]piperidine-1-carbothioamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[cyclohexyl(methyl)amino]piperidine-1-carbothioamide is CN(C1CCCCC1)C1CCN(C(=S)Nc2ccccc2Cl)CC1.
What is the InChIKey of N-(2-chlorophenyl)-4-[cyclohexyl(methyl)amino]piperidine-1-carbothioamide?
The InChIKey is QNGQMUWRPDNPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3S/c1-22(15-7-3-2-4-8-15)16-11-13-23(14-12-16)19(24)21-18-10-6-5-9-17(18)20/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,21,24).
What are the key properties of N-(2-chlorophenyl)-4-[cyclohexyl(methyl)amino]piperidine-1-carbothioamide?
N-(2-chlorophenyl)-4-[cyclohexyl(methyl)amino]piperidine-1-carbothioamide has a molecular weight of 365.97 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-[cyclohexyl(methyl)amino]piperidine-1-carbothioamide is sourced from PubChem (CID 5216672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).