2-ethyl-N-(3-methylphenyl)piperidine-1-carbothioamide

C15H22N2S — CID 3620370

IUPAC2-ethyl-N-(3-methylphenyl)piperidine-1-carbothioamide
SMILESCCC1CCCCN1C(=S)Nc1cccc(C)c1
InChIInChI=1S/C15H22N2S/c1-3-14-9-4-5-10-17(14)15(18)16-13-8-6-7-12(2)11-13/h6-8,11,14H,3-5,9-10H2,1-2H3,(H,16,18)
InChIKeyKZCSHZLKKZMWCF-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.96
Rot. Bonds2

About 2-ethyl-N-(3-methylphenyl)piperidine-1-carbothioamide

2-ethyl-N-(3-methylphenyl)piperidine-1-carbothioamide (PubChem CID 3620370) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 2-ethyl-N-(3-methylphenyl)piperidine-1-carbothioamide.

Molecular Properties

Compound Name2-ethyl-N-(3-methylphenyl)piperidine-1-carbothioamide
PubChem CID3620370
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name2-ethyl-N-(3-methylphenyl)piperidine-1-carbothioamide
SMILESCCC1CCCCN1C(=S)Nc1cccc(C)c1
InChIInChI=1S/C15H22N2S/c1-3-14-9-4-5-10-17(14)15(18)16-13-8-6-7-12(2)11-13/h6-8,11,14H,3-5,9-10H2,1-2H3,(H,16,18)
InChIKeyKZCSHZLKKZMWCF-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.96
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-(3-acetylphenyl)-2-ethylpiperidine-1-carbothioamide
CID 19654734
N-(3-chloro-4-methylphenyl)-2-ethylpiperidine-1-carbothioamide
CID 17270284
N-(2,6-dichlorophenyl)-2-ethylazepane-1-carbothioamide
CID 104691156
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
2-[(2S)-2-ethylpiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129380241
(2R)-1-[(3-methylphenyl)carbamothioyl]pyrrolidine-2-carboxamide
CID 8680082
2-ethyl-N-(2-ethylphenyl)piperidine-1-carbothioamide
CID 19654708
(2R)-N-[4-(difluoromethylsulfanyl)phenyl]-2-ethylpiperidine-1-carbothioamide
CID 2372905
(4aR,8aS)-N-(3-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbothioamide
CID 8657792
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide
CID 108515753
3-(2-ethylpiperidine-1-carbonyl)-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109077261
N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108952246

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-methylphenyl)piperidine-1-carbothioamide?
The IUPAC name of 2-ethyl-N-(3-methylphenyl)piperidine-1-carbothioamide (CID 3620370) is 2-ethyl-N-(3-methylphenyl)piperidine-1-carbothioamide.
What is the SMILES notation for 2-ethyl-N-(3-methylphenyl)piperidine-1-carbothioamide?
The canonical SMILES for 2-ethyl-N-(3-methylphenyl)piperidine-1-carbothioamide is CCC1CCCCN1C(=S)Nc1cccc(C)c1.
What is the InChIKey of 2-ethyl-N-(3-methylphenyl)piperidine-1-carbothioamide?
The InChIKey is KZCSHZLKKZMWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-3-14-9-4-5-10-17(14)15(18)16-13-8-6-7-12(2)11-13/h6-8,11,14H,3-5,9-10H2,1-2H3,(H,16,18).
What are the key properties of 2-ethyl-N-(3-methylphenyl)piperidine-1-carbothioamide?
2-ethyl-N-(3-methylphenyl)piperidine-1-carbothioamide has a molecular weight of 262.42 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-methylphenyl)piperidine-1-carbothioamide is sourced from PubChem (CID 3620370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).