3-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide

C15H22N2S — CID 2944811

IUPAC3-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide
SMILESCC1CCCN(C(=S)NCCc2ccccc2)C1
InChIInChI=1S/C15H22N2S/c1-13-6-5-11-17(12-13)15(18)16-10-9-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,16,18)
InChIKeyJKTQBRYRZDEJMD-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.84
Rot. Bonds3

About 3-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide

3-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide (PubChem CID 2944811) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 3-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide.

Molecular Properties

Compound Name3-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide
PubChem CID2944811
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name3-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide
SMILESCC1CCCN(C(=S)NCCc2ccccc2)C1
InChIInChI=1S/C15H22N2S/c1-13-6-5-11-17(12-13)15(18)16-10-9-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,16,18)
InChIKeyJKTQBRYRZDEJMD-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.84
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

1,3-Dihydro-1-(2-phenylethyl)-2H-imidazole-2-thione
CID 690639
1-Phenethylpiperazine
CID 79214
(2-Phenylethyl)thiourea
CID 735845
3-Benzyl-1,1-dimethyl-2-thiourea
CID 855080
5-Benzyl-1,3,5-triazinane-2-thione
CID 674806
1,1-Dibenzyl-3-prop-2-en-1-ylthiourea
CID 1552103
N-methyl-N'-phenethylthiourea
CID 2725299
5-Benzyl-1-propyl-1,3,5-triazinane-2-thione
CID 751582
1-Benzyl-3-cyclohexyl-1-propan-2-ylthiourea
CID 714760
4-benzyl-N-propan-2-ylpiperidine-1-carbothioamide
CID 715267
5-Phenethyl-1,3,5-triazinane-2-thione
CID 738558
1-Benzyl-5-phenethyl-1,3,5-triazinane-2-thione
CID 751710

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide?
The IUPAC name of 3-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide (CID 2944811) is 3-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide.
What is the SMILES notation for 3-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide?
The canonical SMILES for 3-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide is CC1CCCN(C(=S)NCCc2ccccc2)C1.
What is the InChIKey of 3-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide?
The InChIKey is JKTQBRYRZDEJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-13-6-5-11-17(12-13)15(18)16-10-9-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,16,18).
What are the key properties of 3-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide?
3-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide has a molecular weight of 262.42 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide is sourced from PubChem (CID 2944811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).