3-ethyl-N-methylpiperidine-1-carbothioamide

C9H18N2S — CID 115580649

IUPAC3-ethyl-N-methylpiperidine-1-carbothioamide
SMILESCCC1CCCN(C(=S)NC)C1
InChIInChI=1S/C9H18N2S/c1-3-8-5-4-6-11(7-8)9(12)10-2/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyGBVKMDZQBMNJII-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.61
Rot. Bonds1

About 3-ethyl-N-methylpiperidine-1-carbothioamide

3-ethyl-N-methylpiperidine-1-carbothioamide (PubChem CID 115580649) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 3-ethyl-N-methylpiperidine-1-carbothioamide.

Molecular Properties

Compound Name3-ethyl-N-methylpiperidine-1-carbothioamide
PubChem CID115580649
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name3-ethyl-N-methylpiperidine-1-carbothioamide
SMILESCCC1CCCN(C(=S)NC)C1
InChIInChI=1S/C9H18N2S/c1-3-8-5-4-6-11(7-8)9(12)10-2/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyGBVKMDZQBMNJII-UHFFFAOYSA-N
XLogP1.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethyl-N-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

3-ethyl-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide
CID 115580652
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
N-butyl-3-(2-hydroxyethyl)piperidine-1-carbothioamide
CID 107227314
1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 62490949
N-cyclopropyl-3-(hydroxymethyl)piperidine-1-carbothioamide
CID 4888703
(3R)-3-ethyl-N-(2-sulfanylethyl)piperidine-1-carboxamide
CID 143486954
N,3-diethyl-N-methylpiperidine-1-carboxamide
CID 116654344
1-[(3R)-3-ethylpiperidin-1-yl]-2-methoxyethanone
CID 155354237
3-(2-hydroxyethyl)-N-(2-methylpropyl)piperidine-1-carbothioamide
CID 107227325
(4-aminocyclohexyl)-(3-ethylpiperidin-1-yl)methanone
CID 60846917
N'-cyclohexyl-3-ethylpiperidine-1-carboximidamide
CID 62362939
2,6-diethyl-N-methylmorpholine-4-carbothioamide
CID 130857552

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methylpiperidine-1-carbothioamide?
The IUPAC name of 3-ethyl-N-methylpiperidine-1-carbothioamide (CID 115580649) is 3-ethyl-N-methylpiperidine-1-carbothioamide.
What is the SMILES notation for 3-ethyl-N-methylpiperidine-1-carbothioamide?
The canonical SMILES for 3-ethyl-N-methylpiperidine-1-carbothioamide is CCC1CCCN(C(=S)NC)C1.
What is the InChIKey of 3-ethyl-N-methylpiperidine-1-carbothioamide?
The InChIKey is GBVKMDZQBMNJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-3-8-5-4-6-11(7-8)9(12)10-2/h8H,3-7H2,1-2H3,(H,10,12).
What are the key properties of 3-ethyl-N-methylpiperidine-1-carbothioamide?
3-ethyl-N-methylpiperidine-1-carbothioamide has a molecular weight of 186.32 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methylpiperidine-1-carbothioamide is sourced from PubChem (CID 115580649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).