2-ethyl-N-(2-ethylphenyl)piperidine-1-carbothioamide

C16H24N2S — CID 19654708

IUPAC2-ethyl-N-(2-ethylphenyl)piperidine-1-carbothioamide
SMILESCCc1ccccc1NC(=S)N1CCCCC1CC
InChIInChI=1S/C16H24N2S/c1-3-13-9-5-6-11-15(13)17-16(19)18-12-8-7-10-14(18)4-2/h5-6,9,11,14H,3-4,7-8,10,12H2,1-2H3,(H,17,19)
InChIKeyRSYCKNFXSFFFOE-UHFFFAOYSA-N
MW276.45 g/mol
LogP4.21
Rot. Bonds3

About 2-ethyl-N-(2-ethylphenyl)piperidine-1-carbothioamide

2-ethyl-N-(2-ethylphenyl)piperidine-1-carbothioamide (PubChem CID 19654708) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 2-ethyl-N-(2-ethylphenyl)piperidine-1-carbothioamide.

Molecular Properties

Compound Name2-ethyl-N-(2-ethylphenyl)piperidine-1-carbothioamide
PubChem CID19654708
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name2-ethyl-N-(2-ethylphenyl)piperidine-1-carbothioamide
SMILESCCc1ccccc1NC(=S)N1CCCCC1CC
InChIInChI=1S/C16H24N2S/c1-3-13-9-5-6-11-15(13)17-16(19)18-12-8-7-10-14(18)4-2/h5-6,9,11,14H,3-4,7-8,10,12H2,1-2H3,(H,17,19)
InChIKeyRSYCKNFXSFFFOE-UHFFFAOYSA-N
XLogP4.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 54.21
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-(2-ethylphenyl)-2-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 55410792
N-(2,6-dichlorophenyl)-2-ethylazepane-1-carbothioamide
CID 104691156
2-[1-[(2-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61190378
2-ethyl-N-(3-methylphenyl)piperidine-1-carbothioamide
CID 3620370
N-(3-acetylphenyl)-2-ethylpiperidine-1-carbothioamide
CID 19654734
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
N-(2-ethylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110857732
1-(cyclohexanecarbonylamino)-3-(2-ethylphenyl)thiourea
CID 8000921
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 47336165
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
N-(3-chloro-4-methylphenyl)-2-ethylpiperidine-1-carbothioamide
CID 17270284
(2R)-2-ethyl-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 51944426

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-ethylphenyl)piperidine-1-carbothioamide?
The IUPAC name of 2-ethyl-N-(2-ethylphenyl)piperidine-1-carbothioamide (CID 19654708) is 2-ethyl-N-(2-ethylphenyl)piperidine-1-carbothioamide.
What is the SMILES notation for 2-ethyl-N-(2-ethylphenyl)piperidine-1-carbothioamide?
The canonical SMILES for 2-ethyl-N-(2-ethylphenyl)piperidine-1-carbothioamide is CCc1ccccc1NC(=S)N1CCCCC1CC.
What is the InChIKey of 2-ethyl-N-(2-ethylphenyl)piperidine-1-carbothioamide?
The InChIKey is RSYCKNFXSFFFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-3-13-9-5-6-11-15(13)17-16(19)18-12-8-7-10-14(18)4-2/h5-6,9,11,14H,3-4,7-8,10,12H2,1-2H3,(H,17,19).
What are the key properties of 2-ethyl-N-(2-ethylphenyl)piperidine-1-carbothioamide?
2-ethyl-N-(2-ethylphenyl)piperidine-1-carbothioamide has a molecular weight of 276.45 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-ethylphenyl)piperidine-1-carbothioamide is sourced from PubChem (CID 19654708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).